data_[Cs2Ge2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.6830]
_cell_length_b [6.7687]
_cell_length_c [7.4711]
_cell_angle_alpha [101.7638]
_cell_angle_beta [105.9157]
_cell_angle_gamma [104.1545]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsGeSe2]
_chemical_formula_sum '[Cs2 Ge2 Se4]'
_cell_volume [301.5405]
_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  1  0.4433  0.7608  0.6755  1.0
  Cs  Cs1  1  0.9877  0.5585  0.0308  1.0
  Ge  Ge2  1  0.4935  0.1620  0.2049  1.0
  Ge  Ge3  1  0.9564  0.0985  0.4931  1.0
  Se  Se4  1  0.0141  0.0441  0.7993  1.0
  Se  Se5  1  0.3256  0.1735  0.4783  1.0
  Se  Se6  1  0.6386  0.8354  0.2312  1.0
  Se  Se7  1  0.8502  0.4126  0.4699  1.0
]