# generated using pymatgen data_Pa(Ni2P)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64590734 _cell_length_b 7.04831527 _cell_length_c 7.04831527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa(Ni2P)2 _chemical_formula_sum 'Pa2 Ni8 P4' _cell_volume 181.12411258 _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 Pa Pa0 1 0.00000000 0.50000000 0.50000000 1.0 Pa Pa1 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.50000000 0.16175713 0.58886552 1.0 Ni Ni3 1 0.50000000 0.83824287 0.41113448 1.0 Ni Ni4 1 0.00000000 0.33824287 0.08886552 1.0 Ni Ni5 1 0.00000000 0.66175713 0.91113448 1.0 Ni Ni6 1 0.50000000 0.58886552 0.16175713 1.0 Ni Ni7 1 0.50000000 0.41113448 0.83824287 1.0 Ni Ni8 1 0.00000000 0.08886552 0.33824287 1.0 Ni Ni9 1 0.00000000 0.91113448 0.66175713 1.0 P P10 1 0.50000000 0.71946773 0.71946773 1.0 P P11 1 0.50000000 0.28053227 0.28053227 1.0 P P12 1 0.00000000 0.78053227 0.21946773 1.0 P P13 1 0.00000000 0.21946773 0.78053227 1.0