# generated using pymatgen data_PaNiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85873247 _cell_length_b 3.85803515 _cell_length_c 13.17516444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaNiP2 _chemical_formula_sum 'Pa3 Ni3 P6' _cell_volume 196.14032650 _cell_formula_units_Z 3 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 Pa Pa0 1 0.50000000 0.00000000 0.35012027 1.0 Pa Pa1 1 0.50000000 0.00000000 0.66025114 1.0 Pa Pa2 1 0.00000000 0.50000000 0.98817690 1.0 Ni Ni3 1 0.00000000 0.00000000 0.17069738 1.0 Ni Ni4 1 0.50000000 0.50000000 0.16715754 1.0 Ni Ni5 1 0.00000000 0.00000000 0.82740361 1.0 P P6 1 0.50000000 0.00000000 0.08230994 1.0 P P7 1 0.50000000 0.00000000 0.91225555 1.0 P P8 1 0.00000000 0.50000000 0.26693723 1.0 P P9 1 0.00000000 0.50000000 0.73771731 1.0 P P10 1 0.50000000 0.50000000 0.50535373 1.0 P P11 1 0.00000000 0.00000000 0.50431938 1.0