data_[Tb8Zn2Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2911]
_cell_length_b [5.2710]
_cell_length_c [9.1214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4ZnHg7]
_chemical_formula_sum '[Tb8 Zn2 Hg14]'
_cell_volume [613.1415]
_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
[
  Tb  Tb0  4  0.0724  0.5000  0.7502  1
  Tb  Tb1  4  0.2388  0.5000  0.2585  1
  Zn  Zn2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0545  0.0000  0.3691  1
  Hg  Hg4  4  0.1790  0.5000  0.5365  1
  Hg  Hg5  4  0.1846  0.0000  0.0046  1
  Hg  Hg6  2  0.0000  0.5000  0.0000  1
]