data_[Cs1Sn1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.2062]
_cell_length_b [7.3248]
_cell_length_c [9.9073]
_cell_angle_alpha [79.4136]
_cell_angle_beta [80.5101]
_cell_angle_gamma [78.5651]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSn(GeBr4)2]
_chemical_formula_sum '[Cs1 Sn1 Ge2 Br8]'
_cell_volume [499.3440]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4460  0.4263  0.7496  1.0
  Br  Br3  2  0.1945  0.7445  0.2091  1.0
  Br  Br4  2  0.2148  0.7744  0.8096  1.0
  Br  Br5  2  0.2929  0.2384  0.9660  1.0
  Br  Br6  2  0.3731  0.2745  0.5638  1.0
]