data_[Cs2La2Ge2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  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 [6.9662]
_cell_length_b [7.1439]
_cell_length_c [9.9764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLaGeSe4]
_chemical_formula_sum '[Cs2 La2 Ge2 Se8]'
_cell_volume [471.8708]
_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  0.2589  0.2500  0.0624  1
  La  La1  2  0.2339  0.2500  0.5502  1
  Ge  Ge2  2  0.2121  0.7500  0.3296  1
  Se  Se3  4  0.0139  0.5098  0.7060  1
  Se  Se4  2  0.4116  0.7500  0.1770  1
  Se  Se5  2  0.4146  0.7500  0.5705  1
]