data_[Ba4Ga10Cu8]
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 [12.9754]
_cell_length_b [5.6680]
_cell_length_c [8.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ga5Cu4]
_chemical_formula_sum '[Ba4 Ga10 Cu8]'
_cell_volume [472.9930]
_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  4  0.2202  0.5000  0.6546  1
  Ga  Ga1  8  0.0479  0.2470  0.8400  1
  Ga  Ga2  2  0.0000  0.0000  0.5000  1
  Cu  Cu3  4  0.1126  0.5000  0.1689  1
  Cu  Cu4  4  0.2316  0.0000  0.9033  1
]