# generated using pymatgen data_Cd22Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57082425 _cell_length_b 8.57082407 _cell_length_c 8.50760535 _cell_angle_alpha 71.13579883 _cell_angle_beta 71.13579826 _cell_angle_gamma 58.08155413 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd22Ni3 _chemical_formula_sum 'Cd22 Ni3' _cell_volume 492.85852646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.35293984 0.73916688 0.30686907 1.0 Cd Cd1 1 0.64706016 0.26083312 0.69313093 1.0 Cd Cd2 1 0.26083312 0.64706016 0.69313093 1.0 Cd Cd3 1 0.73916688 0.35293984 0.30686907 1.0 Cd Cd4 1 0.67470498 0.32529502 0.00000000 1.0 Cd Cd5 1 0.32529502 0.67470498 1.00000000 1.0 Cd Cd6 1 0.83221491 0.83221491 0.78156797 1.0 Cd Cd7 1 0.16778509 0.16778509 0.21843203 1.0 Cd Cd8 1 0.98024312 0.98024312 0.17708326 1.0 Cd Cd9 1 0.01975688 0.01975688 0.82291674 1.0 Cd Cd10 1 0.34897095 0.34897095 0.27014061 1.0 Cd Cd11 1 0.65102905 0.65102905 0.72985939 1.0 Cd Cd12 1 0.68896849 0.68896849 0.37319787 1.0 Cd Cd13 1 0.31103151 0.31103151 0.62680213 1.0 Cd Cd14 1 0.66509877 0.02789380 0.46333984 1.0 Cd Cd15 1 0.33490123 0.97210620 0.53666016 1.0 Cd Cd16 1 0.97210620 0.33490123 0.53666016 1.0 Cd Cd17 1 0.02789380 0.66509877 0.46333984 1.0 Cd Cd18 1 0.61361127 0.00131603 0.09390856 1.0 Cd Cd19 1 0.38638873 0.99868397 0.90609144 1.0 Cd Cd20 1 0.99868397 0.38638873 0.90609144 1.0 Cd Cd21 1 0.00131603 0.61361127 0.09390856 1.0 Ni Ni22 1 0.66078857 0.66078857 0.05081541 1.0 Ni Ni23 1 0.33921143 0.33921143 0.94918459 1.0 Ni Ni24 1 0.00000000 0.00000000 0.50000000 1.0