data_[Tm24Zn8Hg4]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5794]
_cell_length_b [9.7166]
_cell_length_c [9.9411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6Zn2Hg]
_chemical_formula_sum '[Tm24 Zn8 Hg4]'
_cell_volume [925.3153]
_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  0.0000  0.2853  0.3207  1
  Tm  Tm1  8  0.1815  0.2717  0.0000  1
  Tm  Tm2  8  0.2030  0.0000  0.2440  1
  Zn  Zn3  4  0.0000  0.5000  0.1260  1
  Zn  Zn4  4  0.1369  0.5000  0.5000  1
  Hg  Hg5  2  0.0000  0.0000  0.0000  1
  Hg  Hg6  2  0.0000  0.0000  0.5000  1
]