data_[Nd8In4Cu4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  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 [4.2454]
_cell_length_b [18.9035]
_cell_length_c [13.1236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2InCuTe5]
_chemical_formula_sum '[Nd8 In4 Cu4 Te20]'
_cell_volume [1053.1975]
_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
[
  Nd  Nd0  4  0.0000  0.1166  0.3050  1.0
  Nd  Nd1  4  0.0000  0.1175  0.6813  1.0
  In  In2  4  0.0000  0.1838  0.9915  1.0
  Cu  Cu3  4  0.0000  0.4891  0.9923  1.0
  Te  Te4  4  0.0000  0.0395  0.0735  1.0
  Te  Te5  4  0.0000  0.2931  0.6603  1.0
  Te  Te6  4  0.0000  0.2934  0.3274  1.0
  Te  Te7  4  0.0000  0.3493  0.9956  1.0
  Te  Te8  4  0.0000  0.4893  0.2972  1.0
]