# generated using pymatgen data_CaMg6Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45753900 _cell_length_b 6.36805900 _cell_length_c 11.75817800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg6Bi _chemical_formula_sum 'Ca2 Mg12 Bi2' _cell_volume 408.64289922 _cell_formula_units_Z 2 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 Ca Ca0 1 0.50000000 0.00000000 0.16922000 1.0 Ca Ca1 1 0.50000000 0.50000000 0.66922000 1.0 Mg Mg2 1 0.50000000 0.24857800 0.41736600 1.0 Mg Mg3 1 0.50000000 0.75142200 0.41736600 1.0 Mg Mg4 1 0.00000000 0.74914100 0.07760000 1.0 Mg Mg5 1 0.00000000 0.25085900 0.07760000 1.0 Mg Mg6 1 0.00000000 0.00000000 0.33784000 1.0 Mg Mg7 1 0.00000000 0.50000000 0.33779300 1.0 Mg Mg8 1 0.50000000 0.74857800 0.91736600 1.0 Mg Mg9 1 0.50000000 0.25142200 0.91736600 1.0 Mg Mg10 1 0.00000000 0.24914100 0.57760000 1.0 Mg Mg11 1 0.00000000 0.75085900 0.57760000 1.0 Mg Mg12 1 0.00000000 0.50000000 0.83784000 1.0 Mg Mg13 1 0.00000000 0.00000000 0.83779300 1.0 Bi Bi14 1 0.50000000 0.50000000 0.16521200 1.0 Bi Bi15 1 0.50000000 0.00000000 0.66521200 1.0