data_[Tb8Er4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6118]
_cell_length_b [5.6249]
_cell_length_c [8.1966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb2ErIr2]
_chemical_formula_sum '[Tb8 Er4 Ir8]'
_cell_volume [465.1270]
_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
[
  Tb  Tb0  8  0.1485  0.3463  0.1513  1.0
  Er  Er1  4  0.0000  0.1482  0.7500  1.0
  Ir  Ir2  8  0.1403  0.1512  0.5065  1.0
]