# generated using pymatgen
data_In2Hg8As5Br7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11428616
_cell_length_b   8.11428616
_cell_length_c   14.09218800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Hg8As5Br7
_chemical_formula_sum   'In2 Hg8 As5 Br7'
_cell_volume   803.54405772
_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  0.00000000  0.00000000  0.31293800  1.0
  In  In1  1  0.00000000  0.00000000  0.68706200  1.0
  Hg  Hg2  1  0.66666700  0.33333300  0.24924600  1.0
  Hg  Hg3  1  0.33333300  0.66666700  0.75075400  1.0
  Hg  Hg4  1  0.50000000  0.50000000  0.50000000  1.0
  Hg  Hg5  1  0.50000000  0.00000000  0.50000000  1.0
  Hg  Hg6  1  0.00000000  0.50000000  0.50000000  1.0
  Hg  Hg7  1  0.50000000  0.50000000  0.00000000  1.0
  Hg  Hg8  1  0.50000000  0.00000000  0.00000000  1.0
  Hg  Hg9  1  0.00000000  0.50000000  0.00000000  1.0
  As  As10  1  0.66666700  0.33333300  0.43040500  1.0
  As  As11  1  0.33333300  0.66666700  0.56959500  1.0
  As  As12  1  0.33333300  0.66666700  0.93221600  1.0
  As  As13  1  0.66666700  0.33333300  0.06778400  1.0
  As  As14  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br15  1  0.17206000  0.34412000  0.25039500  1.0
  Br  Br16  1  0.65588000  0.82794000  0.25039500  1.0
  Br  Br17  1  0.17206000  0.82794000  0.25039500  1.0
  Br  Br18  1  0.82794000  0.65588000  0.74960500  1.0
  Br  Br19  1  0.34412000  0.17206000  0.74960500  1.0
  Br  Br20  1  0.82794000  0.17206000  0.74960500  1.0
  Br  Br21  1  0.00000000  0.00000000  0.00000000  1.0