data_[Cs2Er2Ge2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  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 [9.2464]
_cell_length_b [4.0785]
_cell_length_c [11.5321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsErGeSe3]
_chemical_formula_sum '[Cs2 Er2 Ge2 Se6]'
_cell_volume [402.1084]
_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  0.2334  0.2500  0.2763  1.0
  Er  Er1  2  0.3669  0.7500  0.8465  1.0
  Ge  Ge2  2  0.1268  0.2500  0.5630  1.0
  Se  Se3  2  0.1270  0.2500  0.7783  1.0
  Se  Se4  2  0.3212  0.7500  0.5844  1.0
  Se  Se5  2  0.4050  0.7500  0.1009  1.0
]