data_[Nd16Tl2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8587]
_cell_length_b [5.1512]
_cell_length_c [8.0739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8TlAu2]
_chemical_formula_sum '[Nd16 Tl2 Au4]'
_cell_volume [679.9915]
_cell_formula_units_Z [2]
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  0.0447  0.0000  0.7600  1.0
  Nd  Nd1  4  0.0918  0.5000  0.4603  1.0
  Nd  Nd2  4  0.1798  0.5000  0.9704  1.0
  Nd  Nd3  4  0.1860  0.0000  0.2852  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1911  0.0000  0.6578  1.0
]