data_[Ba4Li4Mg4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.0574]
_cell_length_b [13.2044]
_cell_length_c [7.0656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaLiMgHg3]
_chemical_formula_sum '[Ba4 Li4 Mg4 Hg12]'
_cell_volume [658.4327]
_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
[
  Ba  Ba0  4  0.0000  0.2881  0.2500  1
  Li  Li1  4  0.0000  0.0397  0.2500  1
  Mg  Mg2  4  0.0000  0.3803  0.7500  1
  Hg  Hg3  8  0.2315  0.5000  0.0000  1
  Hg  Hg4  4  0.0000  0.1663  0.7500  1
]