data_[Tm24Hg8Os8]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.4039]
_cell_length_b [9.5510]
_cell_length_c [15.9619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tm3HgOs]
_chemical_formula_sum '[Tm24 Hg8 Os8]'
_cell_volume [976.2836]
_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  16  0.0000  0.1861  0.1113  1
  Tm  Tm1  8  0.0000  0.0000  0.3004  1
  Hg  Hg2  8  0.2160  0.0000  0.5000  1
  Os  Os3  8  0.2500  0.2500  0.2500  1
]