# generated using pymatgen data_Mg6BiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09639100 _cell_length_b 6.29255300 _cell_length_c 10.63511400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6BiMo _chemical_formula_sum 'Mg12 Bi2 Mo2' _cell_volume 341.06077282 _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 Mg Mg0 1 0.00000000 0.24176000 0.08083000 1.0 Mg Mg1 1 0.00000000 0.75824000 0.08083000 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83437000 1.0 Mg Mg3 1 0.50000000 0.23889500 0.91387100 1.0 Mg Mg4 1 0.50000000 0.76110500 0.91387100 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66657500 1.0 Mg Mg6 1 0.00000000 0.74176000 0.58083000 1.0 Mg Mg7 1 0.00000000 0.25824000 0.58083000 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33437000 1.0 Mg Mg9 1 0.50000000 0.73889500 0.41387100 1.0 Mg Mg10 1 0.50000000 0.26110500 0.41387100 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16657500 1.0 Bi Bi12 1 0.50000000 0.50000000 0.17226900 1.0 Bi Bi13 1 0.50000000 0.00000000 0.67226900 1.0 Mo Mo14 1 0.00000000 0.50000000 0.33738200 1.0 Mo Mo15 1 0.00000000 0.00000000 0.83738200 1.0