data_[K4Ge4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4909]
_cell_length_b [10.3764]
_cell_length_c [7.2316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KGeCl3]
_chemical_formula_sum '[K4 Ge4 Cl12]'
_cell_volume [562.0967]
_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
[
  K  K0  4  0.0618  0.2500  0.0185  1
  Ge  Ge1  4  0.0000  0.0000  0.5000  1
  Cl  Cl2  8  0.2061  0.5430  0.7964  1
  Cl  Cl3  4  0.0185  0.7500  0.4163  1
]