# generated using pymatgen data_MgSb2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05965339 _cell_length_b 9.36635572 _cell_length_c 9.38879960 _cell_angle_alpha 120.07929846 _cell_angle_beta 90.81335558 _cell_angle_gamma 89.59236347 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSb2O _chemical_formula_sum 'Mg6 Sb12 O6' _cell_volume 537.15965111 _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 0.96117000 0.32688000 0.32623600 1.0 Mg Mg1 1 0.96117000 0.67312000 0.99935700 1.0 Mg Mg2 1 0.96180300 0.00000000 0.67246300 1.0 Mg Mg3 1 0.03883000 0.67312000 0.67376400 1.0 Mg Mg4 1 0.03883000 0.32688000 0.00064300 1.0 Mg Mg5 1 0.03819700 0.00000000 0.32753700 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 0.66655600 0.33327800 1.0 Sb Sb9 1 0.00000000 0.33344400 0.66672200 1.0 Sb Sb10 1 0.50000000 0.66639600 0.33319800 1.0 Sb Sb11 1 0.50000000 0.33360400 0.66680200 1.0 Sb Sb12 1 0.54383100 0.33987200 0.34063100 1.0 Sb Sb13 1 0.54383100 0.66012800 0.00075800 1.0 Sb Sb14 1 0.54509100 0.00000000 0.65991700 1.0 Sb Sb15 1 0.45616900 0.66012800 0.65936900 1.0 Sb Sb16 1 0.45616900 0.33987200 0.99924200 1.0 Sb Sb17 1 0.45490900 0.00000000 0.34008300 1.0 O O18 1 0.15753500 0.18131700 0.18117400 1.0 O O19 1 0.15753500 0.81868300 0.99985700 1.0 O O20 1 0.15699800 0.00000000 0.82110900 1.0 O O21 1 0.84246500 0.81868300 0.81882600 1.0 O O22 1 0.84246500 0.18131700 0.00014300 1.0 O O23 1 0.84300200 0.00000000 0.17889100 1.0