data_[La8Mg8Hg4]
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 [11.5142]
_cell_length_b [5.2600]
_cell_length_c [9.7247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Mg2Hg]
_chemical_formula_sum '[La8 Mg8 Hg4]'
_cell_volume [564.3299]
_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  4  0.0352  0.0000  0.3519  1.0
  La  La1  4  0.1723  0.0000  0.0693  1.0
  Mg  Mg2  4  0.0148  0.5000  0.8561  1.0
  Mg  Mg3  4  0.1431  0.5000  0.5795  1.0
  Hg  Hg4  4  0.2381  0.5000  0.3062  1.0
]