data_[Ba8Ga8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1264]
_cell_length_b [5.1579]
_cell_length_c [11.2748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ga2Cu]
_chemical_formula_sum '[Ba8 Ga8 Cu4]'
_cell_volume [577.1565]
_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
[
  Ba  Ba0  4  0.0911  0.0000  0.8759  1.0
  Ba  Ba1  4  0.1819  0.5000  0.6699  1.0
  Ga  Ga2  4  0.0982  0.5000  0.1148  1.0
  Ga  Ga3  4  0.0990  0.0000  0.4565  1.0
  Cu  Cu4  4  0.1423  0.5000  0.3580  1.0
]