data_[La12Hg6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [6.8120]
_cell_length_b [8.5634]
_cell_length_c [12.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Hg3C]
_chemical_formula_sum '[La12 Hg6 C2]'
_cell_volume [622.8875]
_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
[
  La  La0  4  0.0794  0.5524  0.7228  1.0
  La  La1  4  0.1786  0.2221  0.5630  1.0
  La  La2  4  0.3764  0.6461  0.5523  1.0
  Hg  Hg3  4  0.3186  0.6092  0.2360  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
  C  C5  2  0.0000  0.0000  0.0000  1.0
]