# generated using pymatgen data_Hf18Cu3NiP8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.92406969 _cell_length_b 11.92406969 _cell_length_c 3.62714785 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.93106675 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Cu3NiP8 _chemical_formula_sum 'Hf18 Cu3 Ni1 P8' _cell_volume 515.71997867 _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 0.00026439 0.00004826 0.00000000 1.0 Hf Hf1 1 0.49995174 0.49973561 0.00000000 1.0 Hf Hf2 1 0.10205908 0.18264346 0.50000000 1.0 Hf Hf3 1 0.18284176 0.89816094 0.50000000 1.0 Hf Hf4 1 0.81709404 0.10109982 0.50000000 1.0 Hf Hf5 1 0.89366883 0.81654661 0.50000000 1.0 Hf Hf6 1 0.39890018 0.68290596 0.50000000 1.0 Hf Hf7 1 0.60183906 0.31715824 0.50000000 1.0 Hf Hf8 1 0.68345339 0.60633117 0.50000000 1.0 Hf Hf9 1 0.31735654 0.39794092 0.50000000 1.0 Hf Hf10 1 0.09323166 0.40676834 0.00000000 1.0 Hf Hf11 1 0.40745588 0.90634020 0.00000000 1.0 Hf Hf12 1 0.59365980 0.09254412 0.00000000 1.0 Hf Hf13 1 0.90502120 0.59497880 0.00000000 1.0 Hf Hf14 1 0.38278894 0.11721106 0.50000000 1.0 Hf Hf15 1 0.11700767 0.61748746 0.50000000 1.0 Hf Hf16 1 0.88251254 0.38299233 0.50000000 1.0 Hf Hf17 1 0.61860060 0.88139940 0.50000000 1.0 Cu Cu18 1 0.25483390 0.24516610 0.00000000 1.0 Cu Cu19 1 0.24516498 0.74514405 0.00000000 1.0 Cu Cu20 1 0.75485595 0.25483502 0.00000000 1.0 Ni Ni21 1 0.74646200 0.75353800 0.00000000 1.0 P P22 1 0.22307829 0.05399615 0.00000000 1.0 P P23 1 0.05380681 0.77736587 0.00000000 1.0 P P24 1 0.94586639 0.22297313 0.00000000 1.0 P P25 1 0.77664477 0.94408625 0.00000000 1.0 P P26 1 0.27702687 0.55413361 0.00000000 1.0 P P27 1 0.72263413 0.44619319 0.00000000 1.0 P P28 1 0.55591375 0.72335523 0.00000000 1.0 P P29 1 0.44600385 0.27692171 0.00000000 1.0