data_[Rb4Ga4Hg4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [19.8861]
_cell_length_b [8.4402]
_cell_length_c [8.8346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbGaHgI4]
_chemical_formula_sum '[Rb4 Ga4 Hg4 I16]'
_cell_volume [1419.3585]
_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
[
  Rb  Rb0  4  0.2149  0.5000  0.7455  1.0
  Ga  Ga1  4  0.1522  0.5000  0.1962  1.0
  Hg  Hg2  4  0.0233  0.0000  0.3222  1.0
  I  I3  8  0.1311  0.2523  0.0136  1.0
  I  I4  4  0.0682  0.5000  0.3704  1.0
  I  I5  4  0.2176  0.0000  0.6235  1.0
]