data_[Ba4Ga4Cu12]
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 [P2_1/c]
_cell_length_a [7.6894]
_cell_length_b [6.9452]
_cell_length_c [8.5500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaGaCu3]
_chemical_formula_sum '[Ba4 Ga4 Cu12]'
_cell_volume [431.3260]
_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  0.3524  0.1105  0.7823  1.0
  Ga  Ga1  4  0.0943  0.7378  0.4054  1.0
  Cu  Cu2  4  0.0395  0.1052  0.3915  1.0
  Cu  Cu3  4  0.0990  0.5571  0.6497  1.0
  Cu  Cu4  4  0.3538  0.5610  0.9211  1.0
]