# generated using pymatgen data_Mg6ZrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28577998 _cell_length_b 6.18142834 _cell_length_c 11.22789290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrBi _chemical_formula_sum 'Mg12 Zr2 Bi2' _cell_volume 366.85646929 _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 0.50000000 0.74821324 0.91805816 1.0 Mg Mg1 1 0.50000000 0.25178676 0.91805816 1.0 Mg Mg2 1 -0.00000000 0.25947165 0.57813105 1.0 Mg Mg3 1 -0.00000000 0.74052835 0.57813105 1.0 Mg Mg4 1 -0.00000000 0.50000000 0.83140075 1.0 Mg Mg5 1 -0.00000000 -0.00000000 0.83736500 1.0 Mg Mg6 1 0.50000000 0.24821324 0.41805816 1.0 Mg Mg7 1 0.50000000 0.75178676 0.41805816 1.0 Mg Mg8 1 -0.00000000 0.75947165 0.07813105 1.0 Mg Mg9 1 -0.00000000 0.24052835 0.07813105 1.0 Mg Mg10 1 -0.00000000 -0.00000000 0.33140075 1.0 Mg Mg11 1 -0.00000000 0.50000000 0.33736500 1.0 Zr Zr12 1 0.50000000 0.50000000 0.67010027 1.0 Zr Zr13 1 0.50000000 -0.00000000 0.17010027 1.0 Bi Bi14 1 0.50000000 -0.00000000 0.66875156 1.0 Bi Bi15 1 0.50000000 0.50000000 0.16875156 1.0