data_[Tm16Zn2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3270]
_cell_length_b [4.8508]
_cell_length_c [6.8550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8ZnIr2]
_chemical_formula_sum '[Tm16 Zn2 Ir4]'
_cell_volume [549.2954]
_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
[
  Tm  Tm0  4  0.0347  0.0000  0.7796  1.0
  Tm  Tm1  4  0.0969  0.5000  0.4695  1.0
  Tm  Tm2  4  0.1716  0.5000  0.9641  1.0
  Tm  Tm3  4  0.2022  0.0000  0.3144  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir5  4  0.1868  0.0000  0.7042  1.0
]