# generated using pymatgen
data_CsBrF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30909796
_cell_length_b   4.30909685
_cell_length_c   10.42766943
_cell_angle_alpha   101.92021208
_cell_angle_beta   101.92018500
_cell_angle_gamma   90.00418050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsBrF
_chemical_formula_sum   'Cs2 Br2 F2'
_cell_volume   185.17902056
_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
  Cs  Cs0  1  0.66931042  0.66931058  0.33856902  1.0
  Cs  Cs1  1  0.33068958  0.33068942  0.66143098  1.0
  Br  Br2  1  0.06025722  0.06025758  0.11981420  1.0
  Br  Br3  1  0.93974278  0.93974242  0.88018580  1.0
  F  F4  1  0.81613025  0.81612966  0.63189671  1.0
  F  F5  1  0.18386975  0.18387034  0.36810329  1.0