data_[Tm16Hg2Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0002]
_cell_length_b [5.0925]
_cell_length_c [6.9013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8HgBi2]
_chemical_formula_sum '[Tm16 Hg2 Bi4]'
_cell_volume [631.7567]
_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  0.0317  0.0000  0.7463  1.0
  Tm  Tm1  4  0.0908  0.5000  0.4394  1.0
  Tm  Tm2  4  0.1611  0.5000  0.9036  1.0
  Tm  Tm3  4  0.2124  0.0000  0.6197  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1609  0.0000  0.1719  1.0
]