data_[Ba6Ga18Cl72]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [11.3433]
_cell_length_b [11.3433]
_cell_length_c [34.3673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Ba(GaCl4)3]
_chemical_formula_sum '[Ba6 Ga18 Cl72]'
_cell_volume [3829.6227]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.4437  1
  Ga  Ga1  18  0.0635  0.3463  0.9995  1
  Cl  Cl2  18  0.1611  0.3345  0.9452  1
  Cl  Cl3  18  0.1690  0.3557  0.3281  1
  Cl  Cl4  18  0.1991  0.7630  0.1783  1
  Cl  Cl5  18  0.1992  0.4167  0.5469  1
]