# generated using pymatgen
data_HgSBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73814500
_cell_length_b   6.77315500
_cell_length_c   7.62195033
_cell_angle_alpha   68.61838080
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSBr
_chemical_formula_sum   'Hg2 S2 Br2'
_cell_volume   227.76960450
_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
  Hg  Hg0  1  0.75000000  0.85633300  0.25052600  1.0
  Hg  Hg1  1  0.25000000  0.14366700  0.74947400  1.0
  S  S2  1  0.75000000  0.53527800  0.51418000  1.0
  S  S3  1  0.25000000  0.46472200  0.48582000  1.0
  Br  Br4  1  0.75000000  0.23217600  0.02440200  1.0
  Br  Br5  1  0.25000000  0.76782400  0.97559800  1.0