data_[Li4Nd8In4Te20]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3633]
_cell_length_b [19.3365]
_cell_length_c [13.0757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNd2InTe5]
_chemical_formula_sum '[Li4 Nd8 In4 Te20]'
_cell_volume [1103.2152]
_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
[
  Li  Li0  4  0.0000  0.2177  0.0170  1.0
  Nd  Nd1  4  0.0000  0.1228  0.6788  1.0
  Nd  Nd2  4  0.0000  0.1261  0.3040  1.0
  In  In3  4  0.0000  0.4142  0.4700  1.0
  Te  Te4  4  0.0000  0.0384  0.0847  1.0
  Te  Te5  4  0.0000  0.2955  0.6610  1.0
  Te  Te6  4  0.0000  0.3021  0.3318  1.0
  Te  Te7  4  0.0000  0.3591  0.9937  1.0
  Te  Te8  4  0.0000  0.4935  0.2829  1.0
]