data_[Cs3Ba1Ge2Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-3m1]
_cell_length_a [7.8000]
_cell_length_b [7.8000]
_cell_length_c [9.9517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3BaGe2Cl9]
_chemical_formula_sum '[Cs3 Ba1 Ge2 Cl9]'
_cell_volume [524.3498]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.7134  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Ba  Ba2  1  0.0000  0.0000  0.5000  1
  Ge  Ge3  2  0.3333  0.6667  0.1570  1
  Cl  Cl4  6  0.1754  0.3507  0.3109  1
  Cl  Cl5  3  0.0000  0.5000  0.0000  1
]