data_[Ga4Hg2I16]
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 [C2/m]
_cell_length_a [13.4168]
_cell_length_b [11.2224]
_cell_length_c [7.1400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2HgI8]
_chemical_formula_sum '[Ga4 Hg2 I16]'
_cell_volume [1070.8246]
_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  0.2071  0.0000  0.6556  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1052  0.1816  0.7772  1.0
  I  I3  4  0.1113  0.5000  0.2085  1.0
  I  I4  4  0.2034  0.0000  0.2928  1.0
]