# generated using pymatgen data_MgSb2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47760823 _cell_length_b 9.55993137 _cell_length_c 9.56811536 _cell_angle_alpha 120.02832509 _cell_angle_beta 89.85490442 _cell_angle_gamma 90.07260255 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSb2O _chemical_formula_sum 'Mg6 Sb12 O6' _cell_volume 512.98074756 _cell_formula_units_Z 6 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 0.13866100 0.36024600 0.35990200 1.0 Mg Mg1 1 0.13866100 0.63975400 0.99965600 1.0 Mg Mg2 1 0.13706700 0.00000000 0.64069200 1.0 Mg Mg3 1 0.86133900 0.63975400 0.64009800 1.0 Mg Mg4 1 0.86133900 0.36024600 0.00034400 1.0 Mg Mg5 1 0.86293300 0.00000000 0.35930800 1.0 Sb Sb6 1 0.00000000 0.00000000 0.00000000 1.0 Sb Sb7 1 0.50000000 0.00000000 0.00000000 1.0 Sb Sb8 1 0.00000000 0.66699600 0.33349800 1.0 Sb Sb9 1 0.00000000 0.33300400 0.66650200 1.0 Sb Sb10 1 0.50000000 0.66646600 0.33323300 1.0 Sb Sb11 1 0.50000000 0.33353400 0.66676700 1.0 Sb Sb12 1 0.62253900 0.37369300 0.37327500 1.0 Sb Sb13 1 0.62253900 0.62630700 0.99958200 1.0 Sb Sb14 1 0.62349500 0.00000000 0.62597800 1.0 Sb Sb15 1 0.37746100 0.62630700 0.62672500 1.0 Sb Sb16 1 0.37746100 0.37369300 0.00041800 1.0 Sb Sb17 1 0.37650500 0.00000000 0.37402200 1.0 O O18 1 0.20043300 0.16184700 0.16126700 1.0 O O19 1 0.20043300 0.83815300 0.99942000 1.0 O O20 1 0.20075700 0.00000000 0.83744800 1.0 O O21 1 0.79956700 0.83815300 0.83873300 1.0 O O22 1 0.79956700 0.16184700 0.00058000 1.0 O O23 1 0.79924300 0.00000000 0.16255200 1.0