# generated using pymatgen
data_Cu2HgI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62498415
_cell_length_b   7.62498415
_cell_length_c   7.62498415
_cell_angle_alpha   132.91018088
_cell_angle_beta   132.91018088
_cell_angle_gamma   68.79523858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgI4
_chemical_formula_sum   'Cu2 Hg1 I4'
_cell_volume   233.48895157
_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
  Cu  Cu0  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu1  1  0.75000000  0.25000000  0.50000000  1.0
  Hg  Hg2  1  0.50000000  0.50000000  -0.00000000  1.0
  I  I3  1  0.63496658  0.63496658  0.53660597  1.0
  I  I4  1  0.90163940  0.36503342  0.00000000  1.0
  I  I5  1  0.09836060  0.09836060  0.46339403  1.0
  I  I6  1  0.36503342  0.90163940  -0.00000000  1.0