data_[Ba6Ge2Cl4]
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 [Immm]
_cell_length_a [4.8188]
_cell_length_b [6.5938]
_cell_length_c [14.1232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3GeCl2]
_chemical_formula_sum '[Ba6 Ge2 Cl4]'
_cell_volume [448.7588]
_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  0.0000  0.0000  0.3447  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.0000  0.5000  0.3336  1.0
]