data_[Ga6Sn2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [6.1754]
_cell_length_b [6.2467]
_cell_length_c [6.5927]
_cell_angle_alpha [95.6102]
_cell_angle_beta [90.4256]
_cell_angle_gamma [110.4502]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ga3SnHg]
_chemical_formula_sum '[Ga6 Sn2 Hg2]'
_cell_volume [236.9132]
_cell_formula_units_Z [2]
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
[
  Ga  Ga0  2  0.0497  0.6274  0.6893  1.0
  Ga  Ga1  2  0.2666  0.4604  0.9604  1.0
  Ga  Ga2  2  0.4679  0.1020  0.1876  1.0
  Sn  Sn3  2  0.4476  0.6802  0.3780  1.0
  Hg  Hg4  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg5  1  0.0000  0.0000  0.5000  1.0
]