data_[Tb12Hg8H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7074]
_cell_length_b [7.1447]
_cell_length_c [7.8239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3Hg2H]
_chemical_formula_sum '[Tb12 Hg8 H4]'
_cell_volume [569.4011]
_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  8  0.1366  0.0770  0.4630  1.0
  Tb  Tb1  4  0.0000  0.3988  0.7500  1.0
  Hg  Hg2  8  0.1750  0.3051  0.1468  1.0
  H  H3  4  0.0000  0.0901  0.7500  1.0
]