data_[Nd16Tl4Ir4]
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 [C2/c]
_cell_length_a [8.9781]
_cell_length_b [13.6525]
_cell_length_c [6.2421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4TlIr]
_chemical_formula_sum '[Nd16 Tl4 Ir4]'
_cell_volume [728.3113]
_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  8  0.1111  0.1740  0.0532  1.0
  Nd  Nd1  8  0.2196  0.4235  0.3893  1.0
  Tl  Tl2  4  0.0000  0.3778  0.7500  1.0
  Ir  Ir3  4  0.0000  0.0014  0.7500  1.0
]