data_[Na4Ca4Ge4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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/c]
_cell_length_a [9.7450]
_cell_length_b [10.7690]
_cell_length_c [9.8392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCaGeCl5]
_chemical_formula_sum '[Na4 Ca4 Ge4 Cl20]'
_cell_volume [946.2589]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0000  0.0576  0.2500  1.0
  Ca  Ca1  4  0.2500  0.2500  0.0000  1.0
  Ge  Ge2  4  0.0000  0.4794  0.2500  1.0
  Cl  Cl3  8  0.0232  0.3204  0.0901  1.0
  Cl  Cl4  8  0.2065  0.0152  0.0836  1.0
  Cl  Cl5  4  0.0000  0.2016  0.7500  1.0
]