# generated using pymatgen data_MgSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54234007 _cell_length_b 5.54234007 _cell_length_c 5.60695100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.90061778 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSb2 _chemical_formula_sum 'Mg2 Sb4' _cell_volume 154.93155868 _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 0.68411700 0.68411700 0.75000000 1.0 Mg Mg1 1 0.31588300 0.31588300 0.25000000 1.0 Sb Sb2 1 0.03378200 0.36543400 0.75000000 1.0 Sb Sb3 1 0.36543400 0.03378200 0.75000000 1.0 Sb Sb4 1 0.63456600 0.96621800 0.25000000 1.0 Sb Sb5 1 0.96621800 0.63456600 0.25000000 1.0