data_[La8Hg4C2]
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/m]
_cell_length_a [6.8170]
_cell_length_b [6.9745]
_cell_length_c [9.7083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La4Hg2C]
_chemical_formula_sum '[La8 Hg4 C2]'
_cell_volume [432.5338]
_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  0.2318  0.0025  0.7265  1.0
  La  La1  2  0.1621  0.7500  0.0658  1.0
  La  La2  2  0.2943  0.2500  0.3524  1.0
  Hg  Hg3  2  0.2163  0.7500  0.4194  1.0
  Hg  Hg4  2  0.3681  0.2500  0.0360  1.0
  C  C5  2  0.0632  0.7500  0.8073  1.0
]