data_[Li2Ga3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0875]
_cell_length_b [4.5901]
_cell_length_c [7.8116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Li2Ga3Hg]
_chemical_formula_sum '[Li2 Ga3 Hg1]'
_cell_volume [110.7063]
_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  1  0.0000  0.0000  0.4991  1.0
  Li  Li1  1  0.0000  0.5000  0.0014  1.0
  Ga  Ga2  1  0.5000  0.0000  0.1554  1.0
  Ga  Ga3  1  0.5000  0.0000  0.8290  1.0
  Ga  Ga4  1  0.5000  0.5000  0.6790  1.0
  Hg  Hg5  1  0.5000  0.5000  0.3361  1.0
]