data_[Pa4Ga4Cu12]
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 [Pnma]
_cell_length_a [8.2101]
_cell_length_b [4.1259]
_cell_length_c [9.6938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PaGaCu3]
_chemical_formula_sum '[Pa4 Ga4 Cu12]'
_cell_volume [328.3727]
_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  0.1849  0.2500  0.0030  1
  Ga  Ga1  4  0.0850  0.2500  0.3741  1
  Cu  Cu2  4  0.1052  0.2500  0.6307  1
  Cu  Cu3  4  0.1086  0.7500  0.2015  1
  Cu  Cu4  4  0.1243  0.7500  0.7994  1
]