data_[Tm2Cd8Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8360]
_cell_length_b [6.1549]
_cell_length_c [9.3118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmCd4Hg7]
_chemical_formula_sum '[Tm2 Cd8 Hg14]'
_cell_volume [627.3765]
_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  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.0029  0.5000  0.3333  1.0
  Cd  Cd2  4  0.2475  0.5000  0.3279  1.0
  Hg  Hg3  4  0.0001  0.0000  0.6643  1.0
  Hg  Hg4  4  0.2424  0.5000  0.6574  1.0
  Hg  Hg5  4  0.2486  0.0000  0.0034  1.0
  Hg  Hg6  2  0.0000  0.5000  0.0000  1.0
]