data_[Li3Sn3Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [4.4935]
_cell_length_b [4.5498]
_cell_length_c [9.1334]
_cell_angle_alpha [78.2980]
_cell_angle_beta [76.5743]
_cell_angle_gamma [89.4150]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Sn3Hg2]
_chemical_formula_sum '[Li3 Sn3 Hg2]'
_cell_volume [177.7151]
_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
[
  Li  Li0  2  0.1185  0.6184  0.7451  1.0
  Li  Li1  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.3896  0.8789  0.2459  1.0
  Sn  Sn3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.2478  0.2602  0.4939  1.0
]