# generated using pymatgen data_Hf9Ta3PW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69578760 _cell_length_b 8.69578731 _cell_length_c 8.73577310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000112 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Ta3PW _chemical_formula_sum 'Hf18 Ta6 P2 W2' _cell_volume 572.07083134 _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 Hf Hf0 1 0.19906235 0.80093765 0.45040458 1.0 Hf Hf1 1 0.19906235 0.39812271 0.45040458 1.0 Hf Hf2 1 0.60187729 0.80093765 0.45040458 1.0 Hf Hf3 1 0.80093765 0.19906235 0.54959542 1.0 Hf Hf4 1 0.80093765 0.60187729 0.54959542 1.0 Hf Hf5 1 0.39812271 0.19906235 0.54959542 1.0 Hf Hf6 1 0.80093765 0.19906235 0.95040458 1.0 Hf Hf7 1 0.80093765 0.60187729 0.95040458 1.0 Hf Hf8 1 0.39812271 0.19906235 0.95040458 1.0 Hf Hf9 1 0.19906235 0.80093765 0.04959542 1.0 Hf Hf10 1 0.19906235 0.39812271 0.04959542 1.0 Hf Hf11 1 0.60187729 0.80093765 0.04959542 1.0 Hf Hf12 1 0.53964701 0.46035299 0.25000000 1.0 Hf Hf13 1 0.53964701 0.07929502 0.25000000 1.0 Hf Hf14 1 0.92070498 0.46035299 0.25000000 1.0 Hf Hf15 1 0.46035299 0.53964701 0.75000000 1.0 Hf Hf16 1 0.46035299 0.92070498 0.75000000 1.0 Hf Hf17 1 0.07929502 0.53964701 0.75000000 1.0 Ta Ta18 1 0.88851845 0.11148155 0.25000000 1.0 Ta Ta19 1 0.88851845 0.77703590 0.25000000 1.0 Ta Ta20 1 0.22296410 0.11148155 0.25000000 1.0 Ta Ta21 1 0.11148155 0.88851845 0.75000000 1.0 Ta Ta22 1 0.11148155 0.22296410 0.75000000 1.0 Ta Ta23 1 0.77703590 0.88851845 0.75000000 1.0 P P24 1 0.33333300 0.66666700 0.25000000 1.0 P P25 1 0.66666700 0.33333300 0.75000000 1.0 W W26 1 0.00000000 0.00000000 0.50000000 1.0 W W27 1 0.00000000 0.00000000 0.00000000 1.0