data_[Tb2In14Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0802]
_cell_length_b [6.2174]
_cell_length_c [9.6173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbIn7Hg4]
_chemical_formula_sum '[Tb2 In14 Hg8]'
_cell_volume [660.4664]
_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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.0014  0.0000  0.3398  1
  In  In2  4  0.2334  0.5000  0.9676  1
  In  In3  4  0.2479  0.5000  0.6435  1
  In  In4  2  0.0000  0.5000  0.0000  1
  Hg  Hg5  4  0.0121  0.5000  0.3391  1
  Hg  Hg6  4  0.2481  0.0000  0.6864  1
]