data_[Tb6Hg2H2C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2476]
_cell_length_b [3.6580]
_cell_length_c [9.9149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3HgHC]
_chemical_formula_sum '[Tb6 Hg2 H2 C2]'
_cell_volume [246.1031]
_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  0.2438  0.2500  0.1742  1.0
  Tb  Tb1  2  0.3155  0.7500  0.8807  1.0
  Tb  Tb2  2  0.3617  0.2500  0.5883  1.0
  Hg  Hg3  2  0.0437  0.7500  0.3522  1.0
  H  H4  2  0.4673  0.2500  0.3978  1.0
  C  C5  2  0.4641  0.7500  0.1478  1.0
]