data_[Cs2Y2Ge2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  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 [9.2577]
_cell_length_b [4.0999]
_cell_length_c [11.5813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsYGeSe3]
_chemical_formula_sum '[Cs2 Y2 Ge2 Se6]'
_cell_volume [407.0880]
_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  0.2343  0.2500  0.2773  1.0
  Y  Y1  2  0.3659  0.7500  0.8458  1.0
  Ge  Ge2  2  0.1264  0.2500  0.5625  1.0
  Se  Se3  2  0.1241  0.2500  0.7760  1.0
  Se  Se4  2  0.3196  0.7500  0.5827  1.0
  Se  Se5  2  0.4039  0.7500  0.1013  1.0
]