data_[Ga4Sn4Hg4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8324]
_cell_length_b [10.3437]
_cell_length_c [11.5173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaSnHgI4]
_chemical_formula_sum '[Ga4 Sn4 Hg4 I16]'
_cell_volume [1402.9591]
_cell_formula_units_Z [4]
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  0.1567  0.5000  0.2892  1
  Sn  Sn1  4  0.1862  0.0000  0.2073  1
  Hg  Hg2  4  0.0855  0.0000  0.9016  1
  I  I3  8  0.1907  0.2994  0.1513  1
  I  I4  4  0.0580  0.5000  0.7247  1
  I  I5  4  0.1800  0.0000  0.4641  1
]