data_[Cs2Ti2Ge2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  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 [8.7926]
_cell_length_b [3.6871]
_cell_length_c [10.5200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTiGeS3]
_chemical_formula_sum '[Cs2 Ti2 Ge2 S6]'
_cell_volume [312.4848]
_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  0.0456  0.2500  0.7668  1
  Ti  Ti1  2  0.4764  0.7500  0.3654  1
  Ge  Ge2  2  0.4315  0.2500  0.0679  1
  S  S3  2  0.2690  0.7500  0.1037  1
  S  S4  2  0.3121  0.2500  0.4035  1
  S  S5  2  0.3692  0.7500  0.7067  1
]