data_[Cs4Nd4Cd4Te12]
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
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.0851]
_cell_length_b [4.6204]
_cell_length_c [17.1134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsNdCdTe3]
_chemical_formula_sum '[Cs4 Nd4 Cd4 Te12]'
_cell_volume [955.5750]
_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  0.2461  0.2500  0.9988  1
  Nd  Nd1  4  0.0034  0.7500  0.7493  1
  Cd  Cd2  4  0.2472  0.7500  0.2121  1
  Te  Te3  4  0.0476  0.7500  0.1257  1
  Te  Te4  4  0.0544  0.2500  0.6245  1
  Te  Te5  4  0.2469  0.2500  0.3161  1
]