data_[Nd24Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [12.9116]
_cell_length_b [12.9116]
_cell_length_c [6.1878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd3Te]
_chemical_formula_sum '[Nd24 Te8]'
_cell_volume [1031.5623]
_cell_formula_units_Z [8]
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  8  0.0275  0.3617  0.5254  1.0
  Nd  Nd1  8  0.0791  0.8918  0.7406  1.0
  Nd  Nd2  8  0.1855  0.7776  0.2454  1.0
  Te  Te3  8  0.0404  0.2973  0.0308  1.0
]