data_1514
_cell_length_a                                 4.01206456672
_cell_length_b                                 4.012065
_cell_length_c                                 9.9302408856
_cell_angle_alpha                              78.3453333891
_cell_angle_beta                               101.654666185
_cell_angle_gamma                              119.999995327
_chemical_formula_sum                          Ac1
_symmetry_space_group_name_H-M                 'P 1'
_symmetry_space_group_name_Hall                ' P 1'
_cell_formula_units_Z                          3
_oqmd_database_code                            1514
_oqmd_structure_label                          input
_oqmd_space_group_name_h-m                     R-3m
_oqmd_space_group_name_hall                    '-R 3 2"'
_oqmd_space_group_crystal_system               hexagonal
_oqmd_space_group_it_number                    166
_[local]_Niggli_cif_reduce_cell_length_a       4.0121
_[local]_Niggli_cif_reduce_cell_length_b       4.0121
_[local]_Niggli_cif_reduce_cell_length_c       9.9302
_[local]_Niggli_cif_reduce_cell_angle_alpha    78.3453
_[local]_Niggli_cif_reduce_cell_angle_beta     78.3453
_[local]_Niggli_cif_reduce_cell_angle_gamma    60.0000
_[local]_Delaunay_cif_reduce_cell_length_a     4.0121
_[local]_Delaunay_cif_reduce_cell_length_b     4.0121
_[local]_Delaunay_cif_reduce_cell_length_c     9.9302
_[local]_Delaunay_cif_reduce_cell_angle_alpha  101.6547
_[local]_Delaunay_cif_reduce_cell_angle_beta   101.6547
_[local]_Delaunay_cif_reduce_cell_angle_gamma  60.0000
_[local]_Niggli_conv_cif_reduce_cell_length_a  4.0121
_[local]_Niggli_conv_cif_reduce_cell_length_b  4.0121
_[local]_Niggli_conv_cif_reduce_cell_length_c  28.9689
_[local]_Niggli_conv_cif_reduce_cell_angle_alpha 90.0000
_[local]_Niggli_conv_cif_reduce_cell_angle_beta 90.0000
_[local]_Niggli_conv_cif_reduce_cell_angle_gamma 120.0000
_[local]_Niggli_conv_cif_reduce_cell_crystal_system hR
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ac 0 3.70074341542e-17 1.85037170771e-16 1
Ac 0.7778 0.2222 0.3334 1
Ac 0.2222 0.7778 0.6666 1
