data_[Tm12Co2Hg6]
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 [P2_1/c]
_cell_length_a [6.2927]
_cell_length_b [8.2545]
_cell_length_c [12.0278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm6CoHg3]
_chemical_formula_sum '[Tm12 Co2 Hg6]'
_cell_volume [535.1764]
_cell_formula_units_Z [2]
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  4  0.0806  0.0553  0.2282  1
  Tm  Tm1  4  0.1912  0.7099  0.0682  1
  Tm  Tm2  4  0.4130  0.1519  0.0617  1
  Co  Co3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.3045  0.1116  0.7297  1
  Hg  Hg5  2  0.5000  0.0000  0.5000  1
]