data_[Tm16Al4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5337]
_cell_length_b [12.8561]
_cell_length_c [5.9126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4AlIr]
_chemical_formula_sum '[Tm16 Al4 Ir4]'
_cell_volume [616.5181]
_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  0.1108  0.1728  0.0505  1.0
  Tm  Tm1  8  0.2122  0.4254  0.3833  1.0
  Al  Al2  4  0.0000  0.3755  0.7500  1.0
  Ir  Ir3  4  0.0000  0.0003  0.2500  1.0
]