data_[Tm14Hg8Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0387]
_cell_length_b [5.6625]
_cell_length_c [8.7945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm7Hg4Pb]
_chemical_formula_sum '[Tm14 Hg8 Pb2]'
_cell_volume [663.9268]
_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  0.0741  0.0000  0.4004  1
  Tm  Tm1  4  0.1688  0.0000  0.8808  1
  Tm  Tm2  4  0.2139  0.5000  0.6618  1
  Tm  Tm3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  4  0.0285  0.5000  0.6886  1
  Hg  Hg5  4  0.2018  0.5000  0.3073  1
  Pb  Pb6  2  0.0000  0.0000  0.0000  1
]