data_[Re2Hg2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.2402]
_cell_length_b [3.7066]
_cell_length_c [7.7390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReHgI]
_chemical_formula_sum '[Re2 Hg2 I2]'
_cell_volume [177.9865]
_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
[
  Re  Re0  1  0.1077  0.0000  0.6406  1
  Re  Re1  1  0.3217  0.5000  0.5703  1
  Hg  Hg2  1  0.4827  0.0000  0.8692  1
  Hg  Hg3  1  0.9307  0.0000  0.9623  1
  I  I4  1  0.2696  0.5000  0.2210  1
  I  I5  1  0.7736  0.5000  0.5189  1
]