data_[La2Nd10Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [9.5602]
_cell_length_b [9.5602]
_cell_length_c [9.5935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LaNd5Te8]
_chemical_formula_sum '[La2 Nd10 Te16]'
_cell_volume [876.8137]
_cell_formula_units_Z [2]
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
[
  La  La0  2  0.0000  0.5000  0.2500  1.0
  Nd  Nd1  8  0.1196  0.7504  0.8749  1.0
  Nd  Nd2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.0746  0.6761  0.5512  1.0
  Te  Te4  8  0.0767  0.8259  0.2000  1.0
]