data_[Hf8Hg2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [8.1287]
_cell_length_b [5.1956]
_cell_length_c [6.7583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf4HgC]
_chemical_formula_sum '[Hf8 Hg2 C2]'
_cell_volume [260.9954]
_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
[
  Hf  Hf0  4  0.1137  0.7477  0.3038  1
  Hf  Hf1  4  0.2344  0.2472  0.6178  1
  Hg  Hg2  2  0.5000  0.0000  0.0000  1
  C  C3  2  0.0000  0.0000  0.0000  1
]