data_[Tb4Nd8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5613]
_cell_length_b [4.1488]
_cell_length_c [11.2370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(NdIr)2]
_chemical_formula_sum '[Tb4 Nd8 Ir8]'
_cell_volume [504.3600]
_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
[
  Tb  Tb0  4  0.2033  0.0000  0.3647  1.0
  Nd  Nd1  4  0.0401  0.5000  0.6962  1.0
  Nd  Nd2  4  0.1706  0.5000  0.0873  1.0
  Ir  Ir3  4  0.0256  0.0000  0.8923  1.0
  Ir  Ir4  4  0.1272  0.0000  0.5711  1.0
]