# generated using pymatgen data_Ta2Nb7(NiP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.47252752 _cell_length_b 11.47252752 _cell_length_c 3.48576790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Nb7(NiP2)2 _chemical_formula_sum 'Ta4 Nb14 Ni4 P8' _cell_volume 458.79289425 _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 0.10130843 0.39869157 0.00000000 1.0 Ta Ta1 1 0.39869157 0.89869157 0.00000000 1.0 Ta Ta2 1 0.60130843 0.10130843 0.00000000 1.0 Ta Ta3 1 0.89869157 0.60130843 0.00000000 1.0 Nb Nb4 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb5 1 0.50000000 0.50000000 0.00000000 1.0 Nb Nb6 1 0.10200689 0.18447003 0.50000000 1.0 Nb Nb7 1 0.18447003 0.89799311 0.50000000 1.0 Nb Nb8 1 0.81552997 0.10200689 0.50000000 1.0 Nb Nb9 1 0.89799311 0.81552997 0.50000000 1.0 Nb Nb10 1 0.39799311 0.68447003 0.50000000 1.0 Nb Nb11 1 0.60200689 0.31552997 0.50000000 1.0 Nb Nb12 1 0.68447003 0.60200689 0.50000000 1.0 Nb Nb13 1 0.31552997 0.39799311 0.50000000 1.0 Nb Nb14 1 0.39325618 0.10674382 0.50000000 1.0 Nb Nb15 1 0.10674382 0.60674382 0.50000000 1.0 Nb Nb16 1 0.89325618 0.39325618 0.50000000 1.0 Nb Nb17 1 0.60674382 0.89325618 0.50000000 1.0 Ni Ni18 1 0.26380412 0.23619588 0.00000000 1.0 Ni Ni19 1 0.23619588 0.73619588 0.00000000 1.0 Ni Ni20 1 0.76380412 0.26380412 0.00000000 1.0 Ni Ni21 1 0.73619588 0.76380412 0.00000000 1.0 P P22 1 0.22681436 0.05367790 0.00000000 1.0 P P23 1 0.05367790 0.77318564 0.00000000 1.0 P P24 1 0.94632210 0.22681436 0.00000000 1.0 P P25 1 0.77318564 0.94632210 0.00000000 1.0 P P26 1 0.27318564 0.55367790 0.00000000 1.0 P P27 1 0.72681436 0.44632210 0.00000000 1.0 P P28 1 0.55367790 0.72681436 0.00000000 1.0 P P29 1 0.44632210 0.27318564 0.00000000 1.0