# generated using pymatgen data_HfZr(Pa3Sb5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.36610251 _cell_length_b 9.36610389 _cell_length_c 6.16873343 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999150 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr(Pa3Sb5)2 _chemical_formula_sum 'Hf1 Zr1 Pa6 Sb10' _cell_volume 468.64560654 _cell_formula_units_Z 1 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 Hf Hf0 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1.0 Pa Pa2 1 0.61369608 1.00000000 0.24954145 1.0 Pa Pa3 1 0.38630392 0.00000000 0.75045855 1.0 Pa Pa4 1 1.00000000 0.61369608 0.24954145 1.0 Pa Pa5 1 0.00000000 0.38630392 0.75045855 1.0 Pa Pa6 1 0.38630392 0.38630392 0.24954145 1.0 Pa Pa7 1 0.61369608 0.61369608 0.75045855 1.0 Sb Sb8 1 0.26873079 1.00000000 0.25186352 1.0 Sb Sb9 1 0.73126921 0.00000000 0.74813648 1.0 Sb Sb10 1 1.00000000 0.26873079 0.25186352 1.0 Sb Sb11 1 0.00000000 0.73126921 0.74813648 1.0 Sb Sb12 1 0.73126921 0.73126921 0.25186352 1.0 Sb Sb13 1 0.26873079 0.26873079 0.74813648 1.0 Sb Sb14 1 0.33333300 0.66666700 0.00000000 1.0 Sb Sb15 1 0.66666700 0.33333300 0.00000000 1.0 Sb Sb16 1 0.66666700 0.33333300 0.50000000 1.0 Sb Sb17 1 0.33333300 0.66666700 0.50000000 1.0