data_[K1Sc1Ge2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  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 [6.1422]
_cell_length_b [7.1384]
_cell_length_c [8.6978]
_cell_angle_alpha [94.5049]
_cell_angle_beta [93.7348]
_cell_angle_gamma [95.9437]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSc(GeCl4)2]
_chemical_formula_sum '[K1 Sc1 Ge2 Cl8]'
_cell_volume [377.1034]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4604  0.5933  0.7682  1.0
  Cl  Cl3  2  0.1950  0.7043  0.9403  1.0
  Cl  Cl4  2  0.2075  0.1804  0.8225  1.0
  Cl  Cl5  2  0.2771  0.6481  0.5410  1.0
  Cl  Cl6  2  0.2937  0.1015  0.2232  1.0
]