# generated using pymatgen data_ThNi9P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42169644 _cell_length_b 6.42169717 _cell_length_c 10.59171391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000130 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThNi9P5 _chemical_formula_sum 'Th2 Ni18 P10' _cell_volume 378.26526324 _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 Th Th0 1 0.00000000 0.00000000 0.50000000 1.0 Th Th1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.46470389 0.92940679 0.89383982 1.0 Ni Ni3 1 0.92940679 0.46470389 0.10616018 1.0 Ni Ni4 1 0.53529611 0.07059321 0.10616018 1.0 Ni Ni5 1 0.07059321 0.53529611 0.60616018 1.0 Ni Ni6 1 0.20206874 0.40413648 0.25000000 1.0 Ni Ni7 1 0.79793126 0.20206874 0.75000000 1.0 Ni Ni8 1 0.40413648 0.20206874 0.75000000 1.0 Ni Ni9 1 0.59586352 0.79793126 0.25000000 1.0 Ni Ni10 1 0.20206874 0.79793126 0.25000000 1.0 Ni Ni11 1 0.79793126 0.59586352 0.75000000 1.0 Ni Ni12 1 0.46470389 0.92940679 0.60616018 1.0 Ni Ni13 1 0.53529611 0.46470389 0.39383982 1.0 Ni Ni14 1 0.92940679 0.46470389 0.39383982 1.0 Ni Ni15 1 0.07059321 0.53529611 0.89383982 1.0 Ni Ni16 1 0.46470389 0.53529611 0.89383982 1.0 Ni Ni17 1 0.53529611 0.07059321 0.39383982 1.0 Ni Ni18 1 0.53529611 0.46470389 0.10616018 1.0 Ni Ni19 1 0.46470389 0.53529611 0.60616018 1.0 P P20 1 0.17303185 0.34606269 0.75000000 1.0 P P21 1 0.82696815 0.17303185 0.25000000 1.0 P P22 1 0.17303185 0.82696815 0.75000000 1.0 P P23 1 0.82696815 0.65393731 0.25000000 1.0 P P24 1 0.33333300 0.66666700 0.43868404 1.0 P P25 1 0.66666700 0.33333300 0.93868404 1.0 P P26 1 0.66666700 0.33333300 0.56131596 1.0 P P27 1 0.33333300 0.66666700 0.06131596 1.0 P P28 1 0.34606269 0.17303185 0.25000000 1.0 P P29 1 0.65393731 0.82696815 0.75000000 1.0