data_[Tm24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [11.5304]
_cell_length_b [11.5304]
_cell_length_c [6.0187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Tm3Ir]
_chemical_formula_sum '[Tm24 Ir8]'
_cell_volume [800.1930]
_cell_formula_units_Z [8]
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  8  0.0000  0.3573  0.5000  1
  Tm  Tm1  8  0.0954  0.0954  0.2467  1
  Tm  Tm2  8  0.2032  0.2032  0.8022  1
  Ir  Ir3  8  0.0000  0.2907  0.0000  1
]