data_[Ba2Ga2Cu2]
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 [P-1]
_cell_length_a [4.3425]
_cell_length_b [4.5569]
_cell_length_c [8.7110]
_cell_angle_alpha [92.9308]
_cell_angle_beta [91.0717]
_cell_angle_gamma [92.9483]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaGaCu]
_chemical_formula_sum '[Ba2 Ga2 Cu2]'
_cell_volume [171.8811]
_cell_formula_units_Z [2]
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  2  0.2636  0.7580  0.1989  1.0
  Ga  Ga1  2  0.2365  0.6883  0.6217  1.0
  Cu  Cu2  2  0.2604  0.1779  0.5035  1.0
]