data_[Nd20Tl8Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.4908]
_cell_length_b [7.5470]
_cell_length_c [8.2926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd5(TlIr)2]
_chemical_formula_sum '[Nd20 Tl8 Ir8]'
_cell_volume [1032.0668]
_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  16  0.1172  0.1647  0.6752  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Tl  Tl2  8  0.2174  0.0000  0.0000  1
  Ir  Ir3  8  0.0000  0.1295  0.3730  1
]