data_[La2Mg2Hg4]
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 [Cm]
_cell_length_a [10.3964]
_cell_length_b [4.0105]
_cell_length_c [5.4240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaMgHg2]
_chemical_formula_sum '[La2 Mg2 Hg4]'
_cell_volume [218.2066]
_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  0.0051  0.5000  0.5289  1
  Mg  Mg1  2  0.2369  0.5000  0.1703  1
  Hg  Hg2  2  0.0039  0.0000  0.0467  1
  Hg  Hg3  2  0.2540  0.0000  0.7542  1
]