data_[Pa8Co12Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [7.5378]
_cell_length_b [7.5378]
_cell_length_c [7.5378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Pa2Co3Ni2]
_chemical_formula_sum '[Pa8 Co12 Ni8]'
_cell_volume [428.2878]
_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  8  0.2445  0.2555  0.7445  1
  Co  Co1  12  0.0000  0.2500  0.0256  1
  Ni  Ni2  8  0.0574  0.4426  0.5574  1
]