data_[Ga2Sn2Hg4]
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 [Cm]
_cell_length_a [5.8868]
_cell_length_b [3.4804]
_cell_length_c [9.9786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaSnHg2]
_chemical_formula_sum '[Ga2 Sn2 Hg4]'
_cell_volume [198.7389]
_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  0.1625  0.5000  0.9987  1.0
  Sn  Sn1  2  0.0115  0.5000  0.5011  1.0
  Hg  Hg2  2  0.0798  0.0000  0.2295  1.0
  Hg  Hg3  2  0.2462  0.0000  0.7707  1.0
]