data_[Tb4Cu2Ir2]
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 [P2_1/m]
_cell_length_a [5.5881]
_cell_length_b [4.3181]
_cell_length_c [7.6548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb2CuIr]
_chemical_formula_sum '[Tb4 Cu2 Ir2]'
_cell_volume [173.3225]
_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
[
  Tb  Tb0  2  0.2160  0.7500  0.9366  1.0
  Tb  Tb1  2  0.2278  0.7500  0.4251  1.0
  Cu  Cu2  2  0.3446  0.2500  0.7119  1.0
  Ir  Ir3  2  0.3497  0.2500  0.2144  1.0
]