data_[Tm16Hg2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5804]
_cell_length_b [12.9553]
_cell_length_c [5.4126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8HgIr2]
_chemical_formula_sum '[Tm16 Hg2 Ir4]'
_cell_volume [583.7899]
_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  8  0.2003  0.1291  0.5844  1
  Tm  Tm1  4  0.0000  0.2413  0.0000  1
  Tm  Tm2  4  0.1201  0.5000  0.8044  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Ir  Ir4  4  0.0000  0.3138  0.5000  1
]