# generated using pymatgen
data_Hg4I7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51254700
_cell_length_b   9.51254700
_cell_length_c   6.58388700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg4I7
_chemical_formula_sum   'Hg4 I7'
_cell_volume   595.76639081
_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
  Hg  Hg0  1  0.00000000  0.27217600  0.22995300  1.0
  Hg  Hg1  1  0.72782400  0.00000000  0.77004700  1.0
  Hg  Hg2  1  0.27217600  0.00000000  0.77004700  1.0
  Hg  Hg3  1  0.00000000  0.72782400  0.22995300  1.0
  I  I4  1  0.25614800  0.25614800  0.00000000  1.0
  I  I5  1  0.74385200  0.74385200  0.00000000  1.0
  I  I6  1  0.50000000  0.00000000  0.48112400  1.0
  I  I7  1  0.00000000  0.50000000  0.51887600  1.0
  I  I8  1  0.00000000  0.00000000  0.50000000  1.0
  I  I9  1  0.74385200  0.25614800  0.00000000  1.0
  I  I10  1  0.25614800  0.74385200  0.00000000  1.0