data_[Tm24In4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7850]
_cell_length_b [9.9185]
_cell_length_c [10.3411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6InHg2]
_chemical_formula_sum '[Tm24 In4 Hg8]'
_cell_volume [1003.6328]
_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  0.2814  0.3225  1.0
  Tm  Tm1  8  0.1814  0.2732  0.0000  1.0
  Tm  Tm2  8  0.2006  0.0000  0.2462  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  In  In4  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.1374  1.0
  Hg  Hg6  4  0.1529  0.5000  0.5000  1.0
]