data_[Tb12Cu4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2304]
_cell_length_b [9.6874]
_cell_length_c [8.3829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3CuIr]
_chemical_formula_sum '[Tb12 Cu4 Ir4]'
_cell_volume [473.7687]
_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  8  0.1106  0.3206  0.7062  1.0
  Tb  Tb1  4  0.1915  0.0000  0.8796  1.0
  Cu  Cu2  4  0.1962  0.0000  0.5059  1.0
  Ir  Ir3  4  0.0000  0.2492  0.0000  1.0
]