data_[Cs1Ge1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1303]
_cell_length_b [7.3534]
_cell_length_c [9.7966]
_cell_angle_alpha [77.3887]
_cell_angle_beta [81.3627]
_cell_angle_gamma [79.8320]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsGe(PbBr4)2]
_chemical_formula_sum '[Cs1 Ge1 Pb2 Br8]'
_cell_volume [490.0430]
_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
  Ge  Ge1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.4595  0.4459  0.7442  1
  Br  Br3  2  0.1451  0.7378  0.2168  1
  Br  Br4  2  0.2217  0.8083  0.8192  1
  Br  Br5  2  0.2741  0.2064  0.9937  1
  Br  Br6  2  0.3869  0.2755  0.5238  1
]