data_[Tb8In8Hg4]
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 [11.3530]
_cell_length_b [4.7456]
_cell_length_c [10.9882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2In2Hg]
_chemical_formula_sum '[Tb8 In8 Hg4]'
_cell_volume [534.4828]
_cell_formula_units_Z [4]
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  0.0102  0.0000  0.3264  1.0
  Tb  Tb1  4  0.1757  0.0000  0.0978  1.0
  In  In2  4  0.0397  0.5000  0.8881  1.0
  In  In3  4  0.1418  0.5000  0.5593  1.0
  Hg  Hg4  4  0.2209  0.5000  0.3227  1.0
]