data_[K1Ge2Sb1Br8]
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
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7717]
_cell_length_b [7.2878]
_cell_length_c [9.2065]
_cell_angle_alpha [86.7948]
_cell_angle_beta [89.2097]
_cell_angle_gamma [85.3430]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KGe2SbBr8]
_chemical_formula_sum '[K1 Ge2 Sb1 Br8]'
_cell_volume [452.1152]
_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
  Ge  Ge1  2  0.4510  0.4485  0.7601  1.0
  Sb  Sb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.2267  0.8119  0.7885  1.0
  Br  Br4  2  0.2348  0.3141  0.9688  1.0
  Br  Br5  2  0.2655  0.8567  0.2225  1.0
  Br  Br6  2  0.2766  0.3552  0.5464  1.0
]