data_[Cs1In1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  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 [6.8571]
_cell_length_b [7.7687]
_cell_length_c [9.9858]
_cell_angle_alpha [73.4028]
_cell_angle_beta [78.0927]
_cell_angle_gamma [76.6223]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsIn(GeBr4)2]
_chemical_formula_sum '[Cs1 In1 Ge2 Br8]'
_cell_volume [490.3172]
_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
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4568  0.4119  0.7352  1.0
  Br  Br3  2  0.1645  0.7230  0.2350  1.0
  Br  Br4  2  0.2228  0.8182  0.8261  1.0
  Br  Br5  2  0.2905  0.2183  0.9686  1.0
  Br  Br6  2  0.4397  0.2442  0.5596  1.0
]