# generated using pymatgen
data_BaBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92257988
_cell_length_b   6.92257988
_cell_length_c   6.25633900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBr3
_chemical_formula_sum   'Ba2 Br6'
_cell_volume   259.64912367
_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
  Ba  Ba0  1  0.33333300  0.66666700  0.75000000  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.25000000  1.0
  Br  Br2  1  0.17184100  0.34368100  0.25000000  1.0
  Br  Br3  1  0.65631900  0.82815900  0.25000000  1.0
  Br  Br4  1  0.17184100  0.82815900  0.25000000  1.0
  Br  Br5  1  0.82815900  0.65631900  0.75000000  1.0
  Br  Br6  1  0.34368100  0.17184100  0.75000000  1.0
  Br  Br7  1  0.82815900  0.17184100  0.75000000  1.0