data_[Pa3Cd3Cu51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.4697]
_cell_length_b [8.4697]
_cell_length_c [12.4749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PaCdCu17]
_chemical_formula_sum '[Pa3 Cd3 Cu51]'
_cell_volume [775.0134]
_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  3  0.0000  0.0000  0.6627  1
  Cd  Cd1  3  0.0000  0.0000  0.3435  1
  Cu  Cu2  18  0.0012  0.2999  0.9990  1
  Cu  Cu3  9  0.0053  0.5026  0.8484  1
  Cu  Cu4  9  0.0072  0.5036  0.4967  1
  Cu  Cu5  9  0.0104  0.5052  0.1526  1
  Cu  Cu6  3  0.0000  0.0000  0.1019  1
  Cu  Cu7  3  0.0000  0.0000  0.9050  1
]