data_[Ba3Sr2Li2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9484]
_cell_length_b [4.9484]
_cell_length_c [20.1292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Sr2(LiHg2)2]
_chemical_formula_sum '[Ba3 Sr2 Li2 Hg4]'
_cell_volume [426.8544]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2316  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Sr  Sr2  2  0.3333  0.6667  0.4196  1.0
  Li  Li3  2  0.3333  0.6667  0.8819  1.0
  Hg  Hg4  2  0.3333  0.6667  0.1157  1.0
  Hg  Hg5  2  0.3333  0.6667  0.6643  1.0
]