data_[La8Hg4C8]
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 [C2/c]
_cell_length_a [16.7831]
_cell_length_b [4.2250]
_cell_length_c [7.1022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2HgC2]
_chemical_formula_sum '[La8 Hg4 C8]'
_cell_volume [457.4880]
_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
[
  La  La0  8  0.1530  0.3256  0.0903  1
  Hg  Hg1  4  0.0000  0.1213  0.2500  1
  C  C2  8  0.2262  0.1313  0.5140  1
]