data_[Ba2Li1Sn1Hg6]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0480]
_cell_length_b [7.6274]
_cell_length_c [7.7416]
_cell_angle_alpha [84.6197]
_cell_angle_beta [70.7791]
_cell_angle_gamma [67.1484]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2LiSnHg6]
_chemical_formula_sum '[Ba2 Li1 Sn1 Hg6]'
_cell_volume [310.5091]
_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  0.4697  0.2581  0.8018  1.0
  Li  Li1  1  0.0000  0.5000  0.5000  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.0008  0.6980  0.7699  1.0
  Hg  Hg4  2  0.1359  0.0979  0.5846  1.0
  Hg  Hg5  2  0.4853  0.2833  0.2871  1.0
]