data_[Tb4Sn2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2733]
_cell_length_b [3.9758]
_cell_length_c [8.6231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb2SnIr]
_chemical_formula_sum '[Tb4 Sn2 Ir2]'
_cell_volume [203.0588]
_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  0.1665  0.2500  0.3910  1.0
  Tb  Tb1  2  0.2514  0.7500  0.0457  1.0
  Sn  Sn2  2  0.3767  0.7500  0.7038  1.0
  Ir  Ir3  2  0.1179  0.2500  0.7964  1.0
]