data_[Tm12Sb4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7618]
_cell_length_b [4.8519]
_cell_length_c [8.6694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3SbIr]
_chemical_formula_sum '[Tm12 Sb4 Ir4]'
_cell_volume [525.8620]
_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
[
  Tm  Tm0  4  0.0727  0.0000  0.2196  1
  Tm  Tm1  4  0.0993  0.5000  0.7924  1
  Tm  Tm2  4  0.2485  0.5000  0.2336  1
  Sb  Sb3  4  0.1448  0.5000  0.4833  1
  Ir  Ir4  4  0.1630  0.0000  0.9977  1
]