# generated using pymatgen
data_In2HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93791869
_cell_length_b   5.93791959
_cell_length_c   7.20103987
_cell_angle_alpha   114.34914000
_cell_angle_beta   114.34913938
_cell_angle_gamma   89.99999956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2HgSe4
_chemical_formula_sum   'In2 Hg1 Se4'
_cell_volume   206.27363102
_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
  In  In0  1  0.25000000  0.75000000  0.50000000  1.0
  In  In1  1  0.50000000  0.50000000  0.00000000  1.0
  Hg  Hg2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.86276349  0.89995771  0.27457655  1.0
  Se  Se4  1  0.62538116  0.13723651  0.72542345  1.0
  Se  Se5  1  0.10004229  0.58818694  0.72542345  1.0
  Se  Se6  1  0.41181306  0.37461884  0.27457655  1.0