data_[Pa8Ga12Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3415]
_cell_length_b [18.1587]
_cell_length_c [6.6490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pa2Ga3Cu2]
_chemical_formula_sum '[Pa8 Ga12 Cu8]'
_cell_volume [524.1753]
_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  4  0.0000  0.0471  0.2500  1
  Pa  Pa1  4  0.0000  0.1595  0.7500  1
  Ga  Ga2  8  0.0000  0.4366  0.0642  1
  Ga  Ga3  4  0.0000  0.2193  0.2500  1
  Cu  Cu4  8  0.0000  0.3101  0.5598  1
]