# generated using pymatgen data_Zr5Sb3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55163394 _cell_length_b 8.55163394 _cell_length_c 6.13115802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998100 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Sb3Se _chemical_formula_sum 'Zr10 Sb6 Se2' _cell_volume 388.30361095 _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 Zr Zr0 1 0.73810430 0.73810430 0.25000000 1.0 Zr Zr1 1 0.26189570 0.00000000 0.25000000 1.0 Zr Zr2 1 0.00000000 0.26189570 0.25000000 1.0 Zr Zr3 1 0.26189570 0.26189570 0.75000000 1.0 Zr Zr4 1 0.73810430 -0.00000000 0.75000000 1.0 Zr Zr5 1 -0.00000000 0.73810430 0.75000000 1.0 Zr Zr6 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr7 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr8 1 0.33333300 0.66666700 -0.00000000 1.0 Zr Zr9 1 0.66666700 0.33333300 -0.00000000 1.0 Sb Sb10 1 0.39555459 0.39555459 0.25000000 1.0 Sb Sb11 1 0.60444541 -0.00000000 0.25000000 1.0 Sb Sb12 1 -0.00000000 0.60444541 0.25000000 1.0 Sb Sb13 1 0.60444541 0.60444541 0.75000000 1.0 Sb Sb14 1 0.39555459 0.00000000 0.75000000 1.0 Sb Sb15 1 0.00000000 0.39555459 0.75000000 1.0 Se Se16 1 0.00000000 0.00000000 0.50000000 1.0 Se Se17 1 0.00000000 0.00000000 -0.00000000 1.0