# generated using pymatgen data_Ta7Nb2(NiP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.43565019 _cell_length_b 11.43603472 _cell_length_c 3.46007556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta7Nb2(NiP2)2 _chemical_formula_sum 'Ta14 Nb4 Ni4 P8' _cell_volume 452.50346664 _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 Ta Ta0 1 0.10284161 0.18572879 0.50000000 1.0 Ta Ta1 1 0.18500189 0.89675529 0.50000000 1.0 Ta Ta2 1 0.81439853 0.10287778 0.50000000 1.0 Ta Ta3 1 0.89676032 0.81512470 0.50000000 1.0 Ta Ta4 1 0.39715839 0.68572879 0.50000000 1.0 Ta Ta5 1 0.60323968 0.31512470 0.50000000 1.0 Ta Ta6 1 0.68560147 0.60287778 0.50000000 1.0 Ta Ta7 1 0.31499811 0.39675529 0.50000000 1.0 Ta Ta8 1 0.10105399 0.39836341 0.00000000 1.0 Ta Ta9 1 0.39894601 0.89836341 0.00000000 1.0 Ta Ta10 1 0.60171531 0.10116563 0.00000000 1.0 Ta Ta11 1 0.89828469 0.60116563 0.00000000 1.0 Ta Ta12 1 0.89269308 0.39274382 0.50000000 1.0 Ta Ta13 1 0.60730692 0.89274382 0.50000000 1.0 Nb Nb14 1 0.99974342 0.00017132 0.00000000 1.0 Nb Nb15 1 0.50025658 0.50017132 0.00000000 1.0 Nb Nb16 1 0.39353528 0.10662181 0.50000000 1.0 Nb Nb17 1 0.10646472 0.60662181 0.50000000 1.0 Ni Ni18 1 0.26391790 0.23600655 0.00000000 1.0 Ni Ni19 1 0.23608210 0.73600655 0.00000000 1.0 Ni Ni20 1 0.76427791 0.26425125 0.00000000 1.0 Ni Ni21 1 0.73572209 0.76425125 0.00000000 1.0 P P22 1 0.22584495 0.05310997 0.00000000 1.0 P P23 1 0.05305618 0.77412338 0.00000000 1.0 P P24 1 0.94658660 0.22627545 0.00000000 1.0 P P25 1 0.77363255 0.94667985 0.00000000 1.0 P P26 1 0.27415505 0.55310997 0.00000000 1.0 P P27 1 0.72636745 0.44667985 0.00000000 1.0 P P28 1 0.55341340 0.72627545 0.00000000 1.0 P P29 1 0.44694382 0.27412338 0.00000000 1.0