data_[Ba3Ge6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.6129]
_cell_length_b [7.6129]
_cell_length_c [21.7142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba(GeCl3)2]
_chemical_formula_sum '[Ba3 Ge6 Cl18]'
_cell_volume [1089.8849]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6680  1.0
  Ge  Ge1  3  0.0000  0.0000  0.2983  1.0
  Ge  Ge2  3  0.0000  0.0000  0.4240  1.0
  Cl  Cl3  9  0.0178  0.6835  0.0678  1.0
  Cl  Cl4  9  0.0450  0.4373  0.9136  1.0
]