data_[K1Sn1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0470]
_cell_length_b [7.1234]
_cell_length_c [9.1294]
_cell_angle_alpha [85.5575]
_cell_angle_beta [85.5549]
_cell_angle_gamma [84.0399]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSn(GeBr4)2]
_chemical_formula_sum '[K1 Sn1 Ge2 Br8]'
_cell_volume [453.3170]
_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
  Sn  Sn1  1  0.0000  0.0000  0.0000  1
  Ge  Ge2  2  0.4468  0.4502  0.7499  1
  Br  Br3  2  0.2193  0.7951  0.2151  1
  Br  Br4  2  0.2203  0.7948  0.7840  1
  Br  Br5  2  0.2679  0.2877  0.9723  1
  Br  Br6  2  0.3064  0.3259  0.5407  1
]