data_[Y8Tm8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [12.1383]
_cell_length_b [4.4622]
_cell_length_c [11.1280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTmIr]
_chemical_formula_sum '[Y8 Tm8 Ir8]'
_cell_volume [590.7817]
_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
[
  Y  Y0  4  0.0731  0.5000  0.1756  1.0
  Y  Y1  4  0.0814  0.0000  0.6520  1.0
  Tm  Tm2  4  0.1500  0.0000  0.9664  1.0
  Tm  Tm3  4  0.2126  0.0000  0.3855  1.0
  Ir  Ir4  4  0.0871  0.5000  0.4348  1.0
  Ir  Ir5  4  0.1686  0.5000  0.8249  1.0
]