data_[La2Tb2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1275]
_cell_length_b [4.7364]
_cell_length_c [7.4303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaTbIr]
_chemical_formula_sum '[La2 Tb2 Ir2]'
_cell_volume [169.6129]
_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
[
  La  La0  2  0.2190  0.2500  0.9276  1
  Tb  Tb1  2  0.2789  0.7500  0.5293  1
  Ir  Ir2  2  0.1035  0.2500  0.2776  1
]