data_[Cs2Nd2Ge2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  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 [6.8936]
_cell_length_b [7.1399]
_cell_length_c [9.9294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNdGeSe4]
_chemical_formula_sum '[Cs2 Nd2 Ge2 Se8]'
_cell_volume [464.1288]
_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  0.2573  0.2500  0.0614  1.0
  Nd  Nd1  2  0.2292  0.2500  0.5490  1.0
  Ge  Ge2  2  0.2156  0.7500  0.3324  1.0
  Se  Se3  4  0.0150  0.5089  0.7029  1.0
  Se  Se4  2  0.4165  0.7500  0.1792  1.0
  Se  Se5  2  0.4240  0.7500  0.5727  1.0
]