# generated using pymatgen data_TaNiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32234745 _cell_length_b 5.40800607 _cell_length_c 12.15449616 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNiP2 _chemical_formula_sum 'Ta4 Ni4 P8' _cell_volume 218.38317714 _cell_formula_units_Z 4 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 0.25000000 0.01515288 0.82986947 1.0 Ta Ta1 1 0.25000000 0.51515288 0.67013053 1.0 Ta Ta2 1 0.75000000 0.98484712 0.17013053 1.0 Ta Ta3 1 0.75000000 0.48484712 0.32986947 1.0 Ni Ni4 1 0.25000000 0.02294375 0.58597859 1.0 Ni Ni5 1 0.25000000 0.52294375 0.91402141 1.0 Ni Ni6 1 0.75000000 0.97705625 0.41402141 1.0 Ni Ni7 1 0.75000000 0.47705625 0.08597859 1.0 P P8 1 0.25000000 0.13858991 0.30948231 1.0 P P9 1 0.25000000 0.63858991 0.19051769 1.0 P P10 1 0.75000000 0.86141009 0.69051769 1.0 P P11 1 0.75000000 0.36141009 0.80948231 1.0 P P12 1 0.25000000 0.19297133 0.03573177 1.0 P P13 1 0.25000000 0.69297133 0.46426823 1.0 P P14 1 0.75000000 0.80702867 0.96426823 1.0 P P15 1 0.75000000 0.30702867 0.53573177 1.0