data_[Nd8Te12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.2116]
_cell_length_b [4.2298]
_cell_length_c [14.9930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd2Te3Au]
_chemical_formula_sum '[Nd8 Te12 Au4]'
_cell_volume [711.0137]
_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  0.0156  0.2500  0.2504  1
  Nd  Nd1  4  0.2357  0.7500  0.9756  1
  Te  Te2  4  0.0445  0.2500  0.9018  1
  Te  Te3  4  0.0697  0.7500  0.4056  1
  Te  Te4  4  0.2347  0.7500  0.6438  1
  Au  Au5  4  0.2431  0.2500  0.7801  1
]