# generated using pymatgen data_ZrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20874590 _cell_length_b 5.20874741 _cell_length_c 8.58838303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000972 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrOs2 _chemical_formula_sum 'Zr4 Os8' _cell_volume 201.79409949 _cell_formula_units_Z 4 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 Zr Zr0 1 0.33333300 0.66666700 0.06685797 1.0 Zr Zr1 1 0.33333300 0.66666700 0.43314203 1.0 Zr Zr2 1 0.66666700 0.33333300 0.56685797 1.0 Zr Zr3 1 0.66666700 0.33333300 0.93314203 1.0 Os Os4 1 0.17244280 0.34488560 0.75000000 1.0 Os Os5 1 0.17244280 0.82755720 0.75000000 1.0 Os Os6 1 0.34488560 0.17244280 0.25000000 1.0 Os Os7 1 0.82755720 0.65511440 0.25000000 1.0 Os Os8 1 0.00000000 -0.00000000 0.00000000 1.0 Os Os9 1 0.65511440 0.82755720 0.75000000 1.0 Os Os10 1 0.82755720 0.17244280 0.25000000 1.0 Os Os11 1 0.00000000 -0.00000000 0.50000000 1.0