data_[Cs4Nd4Fe4Te12]
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
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5762]
_cell_length_b [4.7584]
_cell_length_c [13.9999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsNdFeTe3]
_chemical_formula_sum '[Cs4 Nd4 Fe4 Te12]'
_cell_volume [837.7943]
_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  0.1743  0.7500  0.5015  1
  Nd  Nd1  4  0.0260  0.7500  0.1704  1
  Fe  Fe2  4  0.2410  0.7500  0.7955  1
  Te  Te3  4  0.0535  0.2500  0.3212  1
  Te  Te4  4  0.1013  0.7500  0.9388  1
  Te  Te5  4  0.2118  0.2500  0.7087  1
]