data_[Li2Nd4Te8]
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 [P2_1/m]
_cell_length_a [7.7674]
_cell_length_b [6.2686]
_cell_length_c [8.9763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(NdTe2)2]
_chemical_formula_sum '[Li2 Nd4 Te8]'
_cell_volume [418.3463]
_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  0.2217  0.2500  0.1802  1.0
  Nd  Nd1  2  0.2363  0.7500  0.9323  1.0
  Nd  Nd2  2  0.2407  0.7500  0.4367  1.0
  Te  Te3  4  0.4858  0.0058  0.7479  1.0
  Te  Te4  2  0.0654  0.2500  0.8828  1.0
  Te  Te5  2  0.0704  0.2500  0.4018  1.0
]