data_[La8Hg4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3713]
_cell_length_b [3.8040]
_cell_length_c [8.4540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La2Hg]
_chemical_formula_sum '[La8 Hg4]'
_cell_volume [397.3850]
_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  2  0.0744  0.0000  0.5924  1.0
  La  La1  2  0.1717  0.5000  0.9792  1.0
  La  La2  2  0.3350  0.0000  0.6821  1.0
  La  La3  2  0.4157  0.0000  0.2593  1.0
  Hg  Hg4  2  0.2148  0.5000  0.3670  1.0
  Hg  Hg5  2  0.4550  0.5000  0.9533  1.0
]