data_[Pr20Ga8Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.8174]
_cell_length_b [7.1944]
_cell_length_c [8.5170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(GaCu)2]
_chemical_formula_sum '[Pr20 Ga8 Cu8]'
_cell_volume [969.2122]
_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
[
  Pr  Pr0  16  0.1389  0.1608  0.3228  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  8  0.2045  0.0000  0.0000  1.0
  Cu  Cu3  8  0.0000  0.1147  0.6118  1.0
]