# generated using pymatgen
data_CrHgBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03840684
_cell_length_b   9.03840771
_cell_length_c   9.03840709
_cell_angle_alpha   91.86987369
_cell_angle_beta   91.86986754
_cell_angle_gamma   91.86987653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHgBr18
_chemical_formula_sum   'Cr1 Hg1 Br18'
_cell_volume   737.16699057
_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
  Cr  Cr0  1  0.50000000  0.50000000  0.50000000  1.0
  Hg  Hg1  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br2  1  0.69437776  0.98588329  0.03566112  1.0
  Br  Br3  1  0.74917506  0.13395829  0.59559150  1.0
  Br  Br4  1  0.03566112  0.69437776  0.98588329  1.0
  Br  Br5  1  0.25082494  0.86604171  0.40440850  1.0
  Br  Br6  1  0.13395829  0.59559150  0.74917506  1.0
  Br  Br7  1  0.01411671  0.96433888  0.30562224  1.0
  Br  Br8  1  0.59559150  0.74917506  0.13395829  1.0
  Br  Br9  1  0.96433888  0.30562224  0.01411671  1.0
  Br  Br10  1  0.86604171  0.40440850  0.25082494  1.0
  Br  Br11  1  0.40440850  0.25082494  0.86604171  1.0
  Br  Br12  1  0.98588329  0.03566112  0.69437776  1.0
  Br  Br13  1  0.30562224  0.01411671  0.96433888  1.0
  Br  Br14  1  0.77516513  0.53736713  0.48762898  1.0
  Br  Br15  1  0.51237102  0.22483487  0.46263287  1.0
  Br  Br16  1  0.46263287  0.51237102  0.22483487  1.0
  Br  Br17  1  0.48762898  0.77516513  0.53736713  1.0
  Br  Br18  1  0.53736713  0.48762898  0.77516513  1.0
  Br  Br19  1  0.22483487  0.46263287  0.51237102  1.0