data_[La8Nd4Cu4Te20]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4233]
_cell_length_b [19.4745]
_cell_length_c [13.2159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2NdCuTe5]
_chemical_formula_sum '[La8 Nd4 Cu4 Te20]'
_cell_volume [1138.4384]
_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
[
  La  La0  4  0.0000  0.1094  0.6851  1.0
  La  La1  4  0.0000  0.1203  0.3108  1.0
  Nd  Nd2  4  0.0000  0.1919  0.0105  1.0
  Cu  Cu3  4  0.0000  0.4299  0.4552  1.0
  Te  Te4  4  0.0000  0.0396  0.0585  1.0
  Te  Te5  4  0.0000  0.2895  0.6790  1.0
  Te  Te6  4  0.0000  0.3146  0.3417  1.0
  Te  Te7  4  0.0000  0.3579  0.0009  1.0
  Te  Te8  4  0.0000  0.4993  0.2824  1.0
]