data_[Nd4Nb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [15.9395]
_cell_length_b [3.9978]
_cell_length_c [9.0083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdNbTe3]
_chemical_formula_sum '[Nd4 Nb4 Te12]'
_cell_volume [573.7974]
_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
[
  Nd  Nd0  4  0.1018  0.5000  0.8965  1.0
  Nb  Nb1  4  0.2100  0.0000  0.3863  1.0
  Te  Te2  4  0.0566  0.0000  0.1740  1.0
  Te  Te3  4  0.1190  0.5000  0.5336  1.0
  Te  Te4  4  0.2461  0.5000  0.1647  1.0
]