data_[Tm64Co16Hg16]
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 [F-43m]
_cell_length_a [13.1917]
_cell_length_b [13.1917]
_cell_length_c [13.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Tm4CoHg]
_chemical_formula_sum '[Tm64 Co16 Hg16]'
_cell_volume [2295.6307]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.3115  1
  Tm  Tm1  24  0.0615  0.2500  0.7500  1
  Tm  Tm2  16  0.0978  0.0978  0.0978  1
  Co  Co3  16  0.1087  0.3913  0.6087  1
  Hg  Hg4  16  0.1658  0.1658  0.3342  1
]