data_[Cs2In2Ge2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6519]
_cell_length_b [8.1594]
_cell_length_c [10.1253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsInGeSe4]
_chemical_formula_sum '[Cs2 In2 Ge2 Se8]'
_cell_volume [523.0171]
_cell_formula_units_Z [2]
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  2  0.2562  0.2500  0.0950  1.0
  In  In1  2  0.2966  0.2500  0.6803  1.0
  Ge  Ge2  2  0.1950  0.7500  0.3047  1.0
  Se  Se3  4  0.0362  0.0203  0.7113  1.0
  Se  Se4  2  0.3388  0.7500  0.1127  1.0
  Se  Se5  2  0.4960  0.2500  0.4970  1.0
]