data_[Tm8Ga12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [9.0195]
_cell_length_b [9.0195]
_cell_length_c [7.1157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Tm2Ga3Hg]
_chemical_formula_sum '[Tm8 Ga12 Hg4]'
_cell_volume [501.3189]
_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  6  0.0094  0.5047  0.7500  1
  Tm  Tm1  2  0.0000  0.0000  0.2500  1
  Ga  Ga2  12  0.1630  0.3261  0.5253  1
  Hg  Hg3  4  0.3333  0.6667  0.4646  1
]