# generated using pymatgen
data_Bi12Br5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.81103239
_cell_length_b   15.81103239
_cell_length_c   10.23275306
_cell_angle_alpha   89.51013876
_cell_angle_beta   89.51013876
_cell_angle_gamma   14.52137034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi12Br5O16
_chemical_formula_sum   'Bi12 Br5 O16'
_cell_volume   641.39021078
_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
  Bi  Bi0  1  0.53128100  0.53128100  0.23165200  1.0
  Bi  Bi1  1  0.46871900  0.46871900  0.76834800  1.0
  Bi  Bi2  1  0.82732200  0.82732200  0.23795000  1.0
  Bi  Bi3  1  0.17267800  0.17267800  0.76205000  1.0
  Bi  Bi4  1  0.41310200  0.41310200  0.39520600  1.0
  Bi  Bi5  1  0.58689800  0.58689800  0.60479400  1.0
  Bi  Bi6  1  0.64867900  0.64867900  0.06746300  1.0
  Bi  Bi7  1  0.35132100  0.35132100  0.93253700  1.0
  Bi  Bi8  1  0.70489300  0.70489300  0.44085400  1.0
  Bi  Bi9  1  0.29510700  0.29510700  0.55914600  1.0
  Bi  Bi10  1  0.94152700  0.94152700  0.07567000  1.0
  Bi  Bi11  1  0.05847300  0.05847300  0.92433000  1.0
  Br  Br12  1  0.22217300  0.22217300  0.18744000  1.0
  Br  Br13  1  0.77782700  0.77782700  0.81256000  1.0
  Br  Br14  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br15  1  0.88745200  0.88745200  0.65349900  1.0
  Br  Br16  1  0.11254800  0.11254800  0.34650100  1.0
  O  O17  1  0.57356500  0.57356500  0.05130600  1.0
  O  O18  1  0.42643500  0.42643500  0.94869400  1.0
  O  O19  1  0.86724000  0.86724000  0.02877600  1.0
  O  O20  1  0.13276000  0.13276000  0.97122400  1.0
  O  O21  1  0.98138500  0.98138500  0.86789900  1.0
  O  O22  1  0.01861500  0.01861500  0.13210100  1.0
  O  O23  1  0.45812500  0.45812500  0.21586700  1.0
  O  O24  1  0.54187500  0.54187500  0.78413300  1.0
  O  O25  1  0.77717100  0.77717100  0.46239900  1.0
  O  O26  1  0.22282900  0.22282900  0.53760100  1.0
  O  O27  1  0.65860800  0.65860800  0.61407200  1.0
  O  O28  1  0.34139200  0.34139200  0.38592800  1.0
  O  O29  1  0.32326100  0.32326100  0.12518100  1.0
  O  O30  1  0.67673900  0.67673900  0.87481900  1.0
  O  O31  1  0.89705100  0.89705100  0.29485900  1.0
  O  O32  1  0.10294900  0.10294900  0.70514100  1.0