data_[Ca2Ge2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.5137]
_cell_length_b [4.1480]
_cell_length_c [6.9891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaGeCl4]
_chemical_formula_sum '[Ca2 Ge2 Cl8]'
_cell_volume [372.7273]
_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
[
  Ca  Ca0  2  0.0000  0.4918  0.0000  1.0
  Ge  Ge1  2  0.0000  0.9454  0.5000  1.0
  Cl  Cl2  4  0.1094  0.9874  0.9373  1.0
  Cl  Cl3  4  0.1121  0.5403  0.4471  1.0
]