# generated using pymatgen data_Pa2NiC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58081275 _cell_length_b 6.49536081 _cell_length_c 13.49631569 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2NiC3 _chemical_formula_sum 'Pa8 Ni4 C12' _cell_volume 313.90636391 _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 Pa Pa0 1 0.25000000 0.74916632 0.02016623 1.0 Pa Pa1 1 0.75000000 0.25083368 0.97983377 1.0 Pa Pa2 1 0.75000000 0.75083368 0.52016623 1.0 Pa Pa3 1 0.25000000 0.24916632 0.47983377 1.0 Pa Pa4 1 0.25000000 0.62788078 0.29011636 1.0 Pa Pa5 1 0.75000000 0.37211922 0.70988364 1.0 Pa Pa6 1 0.75000000 0.87211922 0.79011636 1.0 Pa Pa7 1 0.25000000 0.12788078 0.20988364 1.0 Ni Ni8 1 0.25000000 0.50648541 0.84824794 1.0 Ni Ni9 1 0.75000000 0.49351459 0.15175206 1.0 Ni Ni10 1 0.75000000 0.99351459 0.34824794 1.0 Ni Ni11 1 0.25000000 0.00648541 0.65175206 1.0 C C12 1 0.25000000 0.68178803 0.67805472 1.0 C C13 1 0.75000000 0.31821197 0.32194528 1.0 C C14 1 0.75000000 0.81821197 0.17805472 1.0 C C15 1 0.25000000 0.18178803 0.82194528 1.0 C C16 1 0.25000000 0.52521332 0.60041184 1.0 C C17 1 0.75000000 0.47478668 0.39958816 1.0 C C18 1 0.75000000 0.97478668 0.10041184 1.0 C C19 1 0.25000000 0.02521332 0.89958816 1.0 C C20 1 0.25000000 0.89757531 0.40668933 1.0 C C21 1 0.75000000 0.10242469 0.59331067 1.0 C C22 1 0.75000000 0.60242469 0.90668933 1.0 C C23 1 0.25000000 0.39757531 0.09331067 1.0