data_[Tm36Co3Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8014]
_cell_length_b [11.8014]
_cell_length_c [12.9803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm12CoHg6]
_chemical_formula_sum '[Tm36 Co3 Hg18]'
_cell_volume [1565.6077]
_cell_formula_units_Z [3]
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  18  0.0328  0.8471  0.3888  1
  Tm  Tm1  18  0.0328  0.1862  0.8804  1
  Co  Co2  3  0.0000  0.0000  0.0000  1
  Hg  Hg3  18  0.0065  0.6128  0.2546  1
]