data_[Cu1Ge1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6207]
_cell_length_b [6.3688]
_cell_length_c [7.3230]
_cell_angle_alpha [64.9412]
_cell_angle_beta [68.9146]
_cell_angle_gamma [84.9329]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuGeCl6]
_chemical_formula_sum '[Cu1 Ge1 Cl6]'
_cell_volume [220.9297]
_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
[
  Cu  Cu0  1  0.5000  0.5000  0.0000  1
  Ge  Ge1  1  0.0000  0.0000  0.0000  1
  Cl  Cl2  2  0.0600  0.8287  0.3105  1
  Cl  Cl3  2  0.2558  0.3547  0.8742  1
  Cl  Cl4  2  0.3814  0.8524  0.8148  1
]