# generated using pymatgen data_Ta4Nb5(NiP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.45667513 _cell_length_b 11.45667513 _cell_length_c 3.47696139 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4Nb5(NiP2)2 _chemical_formula_sum 'Ta8 Nb10 Ni4 P8' _cell_volume 456.36997537 _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 0.39695883 0.68465859 0.50000000 1.0 Ta Ta1 1 0.60304117 0.31534141 0.50000000 1.0 Ta Ta2 1 0.68465859 0.60304117 0.50000000 1.0 Ta Ta3 1 0.31534141 0.39695883 0.50000000 1.0 Ta Ta4 1 0.10174102 0.39890862 0.00000000 1.0 Ta Ta5 1 0.39890862 0.89825898 0.00000000 1.0 Ta Ta6 1 0.60109138 0.10174102 0.00000000 1.0 Ta Ta7 1 0.89825898 0.60109138 0.00000000 1.0 Nb Nb8 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb9 1 0.50000000 0.50000000 0.00000000 1.0 Nb Nb10 1 0.10212467 0.18486670 0.50000000 1.0 Nb Nb11 1 0.18486670 0.89787533 0.50000000 1.0 Nb Nb12 1 0.81513330 0.10212467 0.50000000 1.0 Nb Nb13 1 0.89787533 0.81513330 0.50000000 1.0 Nb Nb14 1 0.39399572 0.10755587 0.50000000 1.0 Nb Nb15 1 0.10755587 0.60600428 0.50000000 1.0 Nb Nb16 1 0.89244413 0.39399572 0.50000000 1.0 Nb Nb17 1 0.60600428 0.89244413 0.50000000 1.0 Ni Ni18 1 0.26492203 0.23724141 0.00000000 1.0 Ni Ni19 1 0.23724141 0.73507797 0.00000000 1.0 Ni Ni20 1 0.76275859 0.26492203 0.00000000 1.0 Ni Ni21 1 0.73507797 0.76275859 0.00000000 1.0 P P22 1 0.22709415 0.05418895 0.00000000 1.0 P P23 1 0.05418895 0.77290585 0.00000000 1.0 P P24 1 0.94581105 0.22709415 0.00000000 1.0 P P25 1 0.77290585 0.94581105 0.00000000 1.0 P P26 1 0.27434639 0.55268325 0.00000000 1.0 P P27 1 0.72565361 0.44731675 0.00000000 1.0 P P28 1 0.55268325 0.72565361 0.00000000 1.0 P P29 1 0.44731675 0.27434639 0.00000000 1.0