data_[Cs6Tb2Nd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5590]
_cell_length_b [13.0926]
_cell_length_c [8.7723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Tb(NdSe3)2]
_chemical_formula_sum '[Cs6 Tb2 Nd4 Se12]'
_cell_volume [831.5615]
_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  4  0.0000  0.1682  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Nd  Nd3  4  0.0000  0.3335  0.0000  1
  Se  Se4  8  0.2262  0.1632  0.1889  1
  Se  Se5  4  0.2367  0.5000  0.1895  1
]