# generated using pymatgen
data_BiTeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30962561
_cell_length_b   4.30962469
_cell_length_c   6.80777322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTeBr
_chemical_formula_sum   'Bi1 Te1 Br1'
_cell_volume   109.50015782
_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  0.00000000  0.00000000  0.00614795  1.0
  Te  Te1  1  0.33333300  0.66666700  0.26093199  1.0
  Br  Br2  1  0.66666700  0.33333300  0.73292006  1.0