data_[Ba8Pr8Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.4578]
_cell_length_b [5.0223]
_cell_length_c [8.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPrCu]
_chemical_formula_sum '[Ba8 Pr8 Cu8]'
_cell_volume [933.3299]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  4  0.0731  0.0000  0.3218  1
  Ba  Ba1  4  0.0980  0.5000  0.8330  1
  Pr  Pr2  4  0.2154  0.0000  0.0992  1
  Pr  Pr3  4  0.2182  0.0000  0.6317  1
  Cu  Cu4  4  0.1611  0.5000  0.1980  1
  Cu  Cu5  4  0.1634  0.5000  0.4901  1
]