data_[Ga8Sn6Hg2]
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 [Imm2]
_cell_length_a [5.3255]
_cell_length_b [7.8466]
_cell_length_c [9.1038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ga4Sn3Hg]
_chemical_formula_sum '[Ga8 Sn6 Hg2]'
_cell_volume [380.4145]
_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  4  0.0000  0.3215  0.7042  1
  Ga  Ga1  4  0.2421  0.0000  0.7737  1
  Sn  Sn2  4  0.0000  0.2039  0.4007  1
  Sn  Sn3  2  0.0000  0.0000  0.0928  1
  Hg  Hg4  2  0.0000  0.5000  0.9991  1
]