data_[Tm8Ga4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9929]
_cell_length_b [5.3701]
_cell_length_c [7.7138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm2GaIr2]
_chemical_formula_sum '[Tm8 Ga4 Ir8]'
_cell_volume [399.7849]
_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  8  0.1454  0.3487  0.6488  1.0
  Ga  Ga1  4  0.0000  0.1389  0.2500  1.0
  Ir  Ir2  8  0.1348  0.1469  0.0098  1.0
]