data_[Ba16Ga8Cu24]
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 [Fmmm]
_cell_length_a [8.8468]
_cell_length_b [9.3991]
_cell_length_c [15.2820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2GaCu3]
_chemical_formula_sum '[Ba16 Ga8 Cu24]'
_cell_volume [1270.7372]
_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  8  0.0000  0.2415  0.0000  1
  Ba  Ba1  8  0.2500  0.2500  0.2500  1
  Ga  Ga2  8  0.0000  0.0000  0.3351  1
  Cu  Cu3  16  0.2485  0.0000  0.4165  1
  Cu  Cu4  8  0.0000  0.0000  0.1669  1
]