data_[La6Mg4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4750]
_cell_length_b [5.0952]
_cell_length_c [9.5123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(MgHg2)2]
_chemical_formula_sum '[La6 Mg4 Hg8]'
_cell_volume [484.6722]
_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  0.1577  0.5000  0.6738  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1271  0.5000  0.2959  1.0
  Hg  Hg3  4  0.0693  0.0000  0.3950  1.0
  Hg  Hg4  4  0.2127  0.5000  0.0570  1.0
]