# generated using pymatgen
data_CoHgBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92806810
_cell_length_b   8.92806814
_cell_length_c   8.92806945
_cell_angle_alpha   94.64215526
_cell_angle_beta   94.64215049
_cell_angle_gamma   94.64216737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgBr18
_chemical_formula_sum   'Co1 Hg1 Br18'
_cell_volume   704.25207264
_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
  Co  Co0  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg1  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br2  1  0.26782032  0.99564651  0.04339912  1.0
  Br  Br3  1  0.99564651  0.04339912  0.26782032  1.0
  Br  Br4  1  0.04339912  0.26782032  0.99564651  1.0
  Br  Br5  1  0.73217968  0.00435349  0.95660088  1.0
  Br  Br6  1  0.00435349  0.95660088  0.73217968  1.0
  Br  Br7  1  0.95660088  0.73217968  0.00435349  1.0
  Br  Br8  1  0.23888394  0.08980210  0.63676500  1.0
  Br  Br9  1  0.08980210  0.63676500  0.23888394  1.0
  Br  Br10  1  0.63676500  0.23888394  0.08980210  1.0
  Br  Br11  1  0.76111606  0.91019790  0.36323500  1.0
  Br  Br12  1  0.91019790  0.36323500  0.76111606  1.0
  Br  Br13  1  0.36323500  0.76111606  0.91019790  1.0
  Br  Br14  1  0.52200011  0.47141671  0.18983743  1.0
  Br  Br15  1  0.47141671  0.18983743  0.52200011  1.0
  Br  Br16  1  0.18983743  0.52200011  0.47141671  1.0
  Br  Br17  1  0.47799989  0.52858329  0.81016257  1.0
  Br  Br18  1  0.52858329  0.81016257  0.47799989  1.0
  Br  Br19  1  0.81016257  0.47799989  0.52858329  1.0