data_[Tb12Hg4C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9530]
_cell_length_b [6.9906]
_cell_length_c [12.0620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb6Hg2C]
_chemical_formula_sum '[Tb12 Hg4 C2]'
_cell_volume [478.8112]
_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  0.1729  0.5081  0.7568  1.0
  Tb  Tb1  4  0.2836  0.2287  0.5438  1.0
  Tb  Tb2  4  0.3168  0.7394  0.5431  1.0
  Hg  Hg3  4  0.2639  0.5206  0.2512  1.0
  C  C4  2  0.5000  0.0000  0.5000  1.0
]