data_[Ce4Nb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7767]
_cell_length_b [3.9853]
_cell_length_c [8.9683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeNbTe3]
_chemical_formula_sum '[Ce4 Nb4 Te12]'
_cell_volume [563.6749]
_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
[
  Ce  Ce0  4  0.1027  0.5000  0.8976  1.0
  Nb  Nb1  4  0.2094  0.0000  0.3888  1.0
  Te  Te2  4  0.0554  0.0000  0.1755  1.0
  Te  Te3  4  0.1158  0.5000  0.5374  1.0
  Te  Te4  4  0.2478  0.5000  0.1656  1.0
]