data_[Cs2In2Ge2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3579]
_cell_length_b [7.9180]
_cell_length_c [9.6509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsInGeS4]
_chemical_formula_sum '[Cs2 In2 Ge2 S8]'
_cell_volume [465.3764]
_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  0.2591  0.2500  0.1069  1.0
  In  In1  2  0.3022  0.2500  0.6763  1.0
  Ge  Ge2  2  0.1872  0.7500  0.3036  1.0
  S  S3  4  0.0400  0.0293  0.7113  1.0
  S  S4  2  0.3403  0.7500  0.1194  1.0
  S  S5  2  0.4823  0.7500  0.4988  1.0
]