data_[Ga2Hg2I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7643]
_cell_length_b [7.2067]
_cell_length_c [7.7137]
_cell_angle_alpha [90.2034]
_cell_angle_beta [105.6873]
_cell_angle_gamma [90.4808]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ga2Hg2I3]
_chemical_formula_sum '[Ga2 Hg2 I3]'
_cell_volume [254.9729]
_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
[
  Ga  Ga0  2  0.3376  0.8525  0.7113  1
  Hg  Hg1  2  0.2169  0.4163  0.9315  1
  I  I2  2  0.2741  0.2487  0.5652  1
  I  I3  1  0.0000  0.0000  0.0000  1
]