data_[Tb4Sm6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2717]
_cell_length_b [3.8930]
_cell_length_c [8.9559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Sm3Ir2]
_chemical_formula_sum '[Tb4 Sm6 Ir4]'
_cell_volume [385.7099]
_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  4  0.1697  0.0000  0.8106  1.0
  Sm  Sm1  4  0.1170  0.5000  0.4282  1.0
  Sm  Sm2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  4  0.1815  0.0000  0.2378  1.0
]