data_[Tm16In24Hg8]
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 [Fmmm]
_cell_length_a [6.9118]
_cell_length_b [9.9141]
_cell_length_c [17.2305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tm2In3Hg]
_chemical_formula_sum '[Tm16 In24 Hg8]'
_cell_volume [1180.7096]
_cell_formula_units_Z [8]
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  0.2486  0.0000  0.0000  1
  Tm  Tm1  8  0.2500  0.2500  0.2500  1
  In  In2  16  0.0000  0.2490  0.0837  1
  In  In3  8  0.0000  0.0000  0.3319  1
  Hg  Hg4  8  0.0000  0.0000  0.1667  1
]