# generated using pymatgen data_Hf3Ni8MoP6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.01979382 _cell_length_b 11.97626860 _cell_length_c 3.61217759 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.87844633 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ni8MoP6 _chemical_formula_sum 'Hf6 Ni16 Mo2 P12' _cell_volume 450.86748566 _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 0.82291057 0.82124953 0.50000000 1.0 Hf Hf1 1 0.99999746 0.17323111 0.50000000 1.0 Hf Hf2 1 0.33541905 0.66846199 0.00000000 1.0 Hf Hf3 1 0.66458050 0.33304272 0.00000000 1.0 Hf Hf4 1 0.00000759 0.55531809 0.00000000 1.0 Hf Hf5 1 0.17708718 0.99833390 0.50000000 1.0 Ni Ni6 1 0.62738982 0.81849511 0.00000000 1.0 Ni Ni7 1 0.37261634 0.19112548 0.00000000 1.0 Ni Ni8 1 0.99999824 0.72467641 0.50000000 1.0 Ni Ni9 1 0.27855856 0.27877532 0.50000000 1.0 Ni Ni10 1 0.87130190 0.35061181 0.50000000 1.0 Ni Ni11 1 0.72146406 0.00022650 0.50000000 1.0 Ni Ni12 1 0.81652791 0.63031921 0.00000000 1.0 Ni Ni13 1 0.18346305 0.81378432 0.00000000 1.0 Ni Ni14 1 0.35645854 0.87396547 0.50000000 1.0 Ni Ni15 1 0.12870658 0.47931688 0.50000000 1.0 Ni Ni16 1 0.64352625 0.51750101 0.50000000 1.0 Ni Ni17 1 0.00000041 0.00048263 0.00000000 1.0 Ni Ni18 1 0.51519896 0.64744252 0.50000000 1.0 Ni Ni19 1 0.48478666 0.13226742 0.50000000 1.0 Ni Ni20 1 0.19361744 0.37249708 0.00000000 1.0 Ni Ni21 1 0.80639685 0.17889856 0.00000000 1.0 Mo Mo22 1 0.44709569 0.44727294 0.00000000 1.0 Mo Mo23 1 0.55290379 0.00017366 0.00000000 1.0 P P24 1 0.00000363 0.34641386 0.00000000 1.0 P P25 1 0.82594727 0.51331965 0.50000000 1.0 P P26 1 0.68304324 0.16733769 0.50000000 1.0 P P27 1 0.17729101 0.17515604 0.00000000 1.0 P P28 1 0.64173756 0.64358085 0.00000000 1.0 P P29 1 0.82270564 0.99785789 0.00000000 1.0 P P30 1 0.51697555 0.83421211 0.50000000 1.0 P P31 1 0.17405468 0.68737122 0.50000000 1.0 P P32 1 0.35825604 0.00184069 0.00000000 1.0 P P33 1 0.48302108 0.31723974 0.50000000 1.0 P P34 1 0.99999988 0.82390721 0.00000000 1.0 P P35 1 0.31695100 0.48429238 0.50000000 1.0