# generated using pymatgen data_Hf9Ta3ReP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67354079 _cell_length_b 8.67354037 _cell_length_c 8.71094345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999787 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Ta3ReP _chemical_formula_sum 'Hf18 Ta6 Re2 P2' _cell_volume 567.52979278 _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 0.19789821 0.80210179 0.45088768 1.0 Hf Hf1 1 0.19789821 0.39579643 0.45088768 1.0 Hf Hf2 1 0.60420357 0.80210179 0.45088768 1.0 Hf Hf3 1 0.80210179 0.19789821 0.54911232 1.0 Hf Hf4 1 0.80210179 0.60420357 0.54911232 1.0 Hf Hf5 1 0.39579643 0.19789821 0.54911232 1.0 Hf Hf6 1 0.80210179 0.19789821 0.95088768 1.0 Hf Hf7 1 0.80210179 0.60420357 0.95088768 1.0 Hf Hf8 1 0.39579643 0.19789821 0.95088768 1.0 Hf Hf9 1 0.19789821 0.80210179 0.04911232 1.0 Hf Hf10 1 0.19789821 0.39579643 0.04911232 1.0 Hf Hf11 1 0.60420357 0.80210179 0.04911232 1.0 Hf Hf12 1 0.53809346 0.46190654 0.25000000 1.0 Hf Hf13 1 0.53809346 0.07618592 0.25000000 1.0 Hf Hf14 1 0.92381408 0.46190654 0.25000000 1.0 Hf Hf15 1 0.46190654 0.53809346 0.75000000 1.0 Hf Hf16 1 0.46190654 0.92381408 0.75000000 1.0 Hf Hf17 1 0.07618592 0.53809346 0.75000000 1.0 Ta Ta18 1 0.88888133 0.11111867 0.25000000 1.0 Ta Ta19 1 0.88888133 0.77776166 0.25000000 1.0 Ta Ta20 1 0.22223834 0.11111867 0.25000000 1.0 Ta Ta21 1 0.11111867 0.88888133 0.75000000 1.0 Ta Ta22 1 0.11111867 0.22223834 0.75000000 1.0 Ta Ta23 1 0.77776166 0.88888133 0.75000000 1.0 Re Re24 1 0.00000000 0.00000000 0.50000000 1.0 Re Re25 1 0.00000000 0.00000000 0.00000000 1.0 P P26 1 0.33333300 0.66666700 0.25000000 1.0 P P27 1 0.66666700 0.33333300 0.75000000 1.0