data_[Li4Nd8Sc4Te20]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3492]
_cell_length_b [18.6159]
_cell_length_c [13.0120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNd2ScTe5]
_chemical_formula_sum '[Li4 Nd8 Sc4 Te20]'
_cell_volume [1053.4999]
_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  0.4345  0.4601  1.0
  Nd  Nd1  4  0.0000  0.1068  0.6864  1.0
  Nd  Nd2  4  0.0000  0.1281  0.3025  1.0
  Sc  Sc3  4  0.0000  0.1949  0.0116  1.0
  Te  Te4  4  0.0000  0.0499  0.0686  1.0
  Te  Te5  4  0.0000  0.2822  0.6620  1.0
  Te  Te6  4  0.0000  0.3070  0.3505  1.0
  Te  Te7  4  0.0000  0.3547  0.9990  1.0
  Te  Te8  4  0.0000  0.4979  0.7833  1.0
]