data_[La2Mg22Hg2]
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 [5.9534]
_cell_length_b [14.4527]
_cell_length_c [7.7679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaMg11Hg]
_chemical_formula_sum '[La2 Mg22 Hg2]'
_cell_volume [620.6728]
_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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.1059  0.3938  0.2172  1
  Mg  Mg2  8  0.1765  0.1747  0.3536  1
  Mg  Mg3  4  0.2500  0.2500  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Hg  Hg5  2  0.0000  0.5000  0.5000  1
]