data_[Cs4Nd8H4Se16]
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
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0959]
_cell_length_b [14.9462]
_cell_length_c [15.5429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsNd2HSe4]
_chemical_formula_sum '[Cs4 Nd8 H4 Se16]'
_cell_volume [951.5008]
_cell_formula_units_Z [4]
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  4  0.0000  0.3850  0.2500  1
  Nd  Nd1  8  0.0000  0.1370  0.0559  1
  H  H2  4  0.0000  0.4087  0.7500  1
  Se  Se3  8  0.0000  0.2371  0.6050  1
  Se  Se4  4  0.0000  0.0929  0.2500  1
  Se  Se5  4  0.0000  0.5000  0.0000  1
]