# generated using pymatgen
data_CeBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08676402
_cell_length_b   8.08676467
_cell_length_c   4.39952406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeBr3
_chemical_formula_sum   'Ce2 Br6'
_cell_volume   249.16436159
_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
  Ce  Ce0  1  0.66666700  0.33333300  0.75000000  1.0
  Ce  Ce1  1  0.33333300  0.66666700  0.25000000  1.0
  Br  Br2  1  0.91206229  0.61168928  0.25000000  1.0
  Br  Br3  1  0.08793771  0.38831072  0.75000000  1.0
  Br  Br4  1  0.61168928  0.69962599  0.75000000  1.0
  Br  Br5  1  0.38831072  0.30037401  0.25000000  1.0
  Br  Br6  1  0.30037401  0.91206229  0.75000000  1.0
  Br  Br7  1  0.69962599  0.08793771  0.25000000  1.0