data_[Li7Ga2Hg1]
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 [P3m1]
_cell_length_a [4.5275]
_cell_length_b [4.5275]
_cell_length_c [9.6905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Li7Ga2Hg]
_chemical_formula_sum '[Li7 Ga2 Hg1]'
_cell_volume [172.0255]
_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  0.3503  1
  Li  Li1  1  0.0000  0.0000  0.7371  1
  Li  Li2  1  0.3333  0.6667  0.1659  1
  Li  Li3  1  0.3333  0.6667  0.4095  1
  Li  Li4  1  0.3333  0.6667  0.9257  1
  Li  Li5  1  0.6667  0.3333  0.5541  1
  Li  Li6  1  0.6667  0.3333  0.8898  1
  Ga  Ga7  1  0.3333  0.6667  0.6674  1
  Ga  Ga8  1  0.6667  0.3333  0.2291  1
  Hg  Hg9  1  0.0000  0.0000  0.0546  1
]