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 [15.8207]
_cell_length_b [3.9983]
_cell_length_c [8.9884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeNbTe3]
_chemical_formula_sum '[Ce4 Nb4 Te12]'
_cell_volume [568.4017]
_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  0.1028  0.5000  0.8975  1
  Nb  Nb1  4  0.2097  0.0000  0.3893  1
  Te  Te2  4  0.0554  0.0000  0.1747  1
  Te  Te3  4  0.1174  0.5000  0.5368  1
  Te  Te4  4  0.2477  0.5000  0.1665  1
]