data_[Li2Nd8Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.9543]
_cell_length_b [9.9543]
_cell_length_c [6.3444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [LiNd4Te5]
_chemical_formula_sum '[Li2 Nd8 Te10]'
_cell_volume [628.6613]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0313  1.0
  Nd  Nd1  8  0.0965  0.3032  0.4973  1.0
  Te  Te2  8  0.0961  0.2862  0.9971  1.0
  Te  Te3  2  0.0000  0.0000  0.5014  1.0
]