data_[La12Tb4Ir8]
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 [C2/m]
_cell_length_a [17.0128]
_cell_length_b [4.3627]
_cell_length_c [11.5761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3TbIr2]
_chemical_formula_sum '[La12 Tb4 Ir8]'
_cell_volume [753.6603]
_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
[
  La  La0  4  0.0504  0.0000  0.2334  1
  Tb  Tb1  4  0.0760  0.5000  0.6642  1
  La  La2  4  0.1685  0.5000  0.0251  1
  La  La3  4  0.2143  0.0000  0.5984  1
  Ir  Ir4  4  0.1166  0.5000  0.4292  1
  Ir  Ir5  4  0.1375  0.0000  0.8395  1
]