data_[Tb4Tm12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6348]
_cell_length_b [8.4911]
_cell_length_c [7.9304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTm3Ir]
_chemical_formula_sum '[Tb4 Tm12 Ir4]'
_cell_volume [577.3818]
_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  4  0.0519  0.0000  0.3378  1.0
  Tm  Tm1  8  0.2406  0.3036  0.7845  1.0
  Tm  Tm2  4  0.0571  0.5000  0.2600  1.0
  Ir  Ir3  4  0.2463  0.5000  0.1136  1.0
]