data_[Pa12Ga8Cu4]
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 [8.5318]
_cell_length_b [10.7044]
_cell_length_c [5.3822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pa3Ga2Cu]
_chemical_formula_sum '[Pa12 Ga8 Cu4]'
_cell_volume [491.5460]
_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  0.1664  0.2280  0.7500  1
  Pa  Pa1  4  0.0000  0.0771  0.2500  1
  Ga  Ga2  8  0.1768  0.5000  0.0000  1
  Cu  Cu3  4  0.0000  0.3483  0.2500  1
]