data_[Ba4Li4Hg16]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9188]
_cell_length_b [11.7751]
_cell_length_c [11.8286]
_cell_angle_alpha [119.4334]
_cell_angle_beta [97.2750]
_cell_angle_gamma [90.9875]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLiHg4]
_chemical_formula_sum '[Ba4 Li4 Hg16]'
_cell_volume [709.1778]
_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  2  0.3530  0.2280  0.4589  1
  Ba  Ba1  2  0.4954  0.7451  0.9977  1
  Li  Li2  2  0.0047  0.4989  0.7132  1
  Li  Li3  2  0.0206  0.2042  0.7144  1
  Hg  Hg4  2  0.0524  0.9410  0.1512  1
  Hg  Hg5  2  0.0533  0.2155  0.1550  1
  Hg  Hg6  2  0.1472  0.6333  0.5672  1
  Hg  Hg7  2  0.1541  0.9338  0.5632  1
  Hg  Hg8  2  0.3822  0.4083  0.8179  1
  Hg  Hg9  2  0.4185  0.9179  0.8321  1
  Hg  Hg10  2  0.4344  0.8691  0.3191  1
  Hg  Hg11  2  0.4431  0.4499  0.3247  1
]