data_[Y10Tm2Ir12]
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 [Cmmm]
_cell_length_a [4.7308]
_cell_length_b [14.2127]
_cell_length_c [7.1642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y5TmIr6]
_chemical_formula_sum '[Y10 Tm2 Ir12]'
_cell_volume [481.6993]
_cell_formula_units_Z [2]
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  0.0000  0.3334  0.5000  1
  Y  Y1  4  0.0000  0.3337  0.0000  1
  Y  Y2  2  0.0000  0.0000  0.5000  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  Ir  Ir4  8  0.0000  0.1655  0.2484  1
  Ir  Ir5  4  0.0000  0.5000  0.2467  1
]