# generated using pymatgen data_Hf6Ni20GeP12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.40721105 _cell_length_b 12.40721165 _cell_length_c 3.58803040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999841 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Ni20GeP12 _chemical_formula_sum 'Hf6 Ni20 Ge1 P12' _cell_volume 478.33825333 _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 0.80794457 0.28334033 0.50000000 1.0 Hf Hf1 1 0.71665967 0.52460424 0.50000000 1.0 Hf Hf2 1 0.47539576 0.19205543 0.50000000 1.0 Hf Hf3 1 0.19290245 0.71619550 0.00000000 1.0 Hf Hf4 1 0.28380450 0.47670695 0.00000000 1.0 Hf Hf5 1 0.52329305 0.80709755 0.00000000 1.0 Ni Ni6 1 0.41858228 0.98139852 0.00000000 1.0 Ni Ni7 1 0.01860148 0.43718376 0.00000000 1.0 Ni Ni8 1 0.58369650 0.01936368 0.50000000 1.0 Ni Ni9 1 0.56281624 0.58141772 0.00000000 1.0 Ni Ni10 1 0.98063632 0.56433383 0.50000000 1.0 Ni Ni11 1 0.91550093 0.08925318 0.50000000 1.0 Ni Ni12 1 0.17375226 0.08449907 0.50000000 1.0 Ni Ni13 1 0.91074682 0.82624774 0.50000000 1.0 Ni Ni14 1 0.09836091 0.88910358 0.00000000 1.0 Ni Ni15 1 0.79074267 0.90163909 0.00000000 1.0 Ni Ni16 1 0.11089642 0.20925733 0.00000000 1.0 Ni Ni17 1 0.33333300 0.66666700 0.50000000 1.0 Ni Ni18 1 0.66666700 0.33333300 0.00000000 1.0 Ni Ni19 1 0.67332915 0.74760523 0.50000000 1.0 Ni Ni20 1 0.25239477 0.92572291 0.50000000 1.0 Ni Ni21 1 0.91799071 0.67222425 0.00000000 1.0 Ni Ni22 1 0.32777575 0.24576746 0.00000000 1.0 Ni Ni23 1 0.75423254 0.08200929 0.00000000 1.0 Ni Ni24 1 0.43566617 0.41630350 0.50000000 1.0 Ni Ni25 1 0.07427709 0.32667085 0.50000000 1.0 Ge Ge26 1 0.00000000 0.00000000 0.00000000 1.0 P P27 1 0.23446339 0.28848769 0.50000000 1.0 P P28 1 0.71151231 0.94597371 0.50000000 1.0 P P29 1 0.05402629 0.76553661 0.50000000 1.0 P P30 1 0.76626557 0.71240232 0.00000000 1.0 P P31 1 0.28759768 0.05386425 0.00000000 1.0 P P32 1 0.47218627 0.61318276 0.50000000 1.0 P P33 1 0.38681724 0.85900251 0.50000000 1.0 P P34 1 0.85913410 0.47247155 0.00000000 1.0 P P35 1 0.52752845 0.38666355 0.00000000 1.0 P P36 1 0.61333645 0.14086590 0.00000000 1.0 P P37 1 0.94613575 0.23373443 0.00000000 1.0 P P38 1 0.14099749 0.52781373 0.50000000 1.0