# generated using pymatgen
data_Bi2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.88348049
_cell_length_b   6.82554510
_cell_length_c   11.36997736
_cell_angle_alpha   148.20954458
_cell_angle_beta   164.22489248
_cell_angle_gamma   27.96345289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Se3
_chemical_formula_sum   'Bi2 Se3'
_cell_volume   216.49607082
_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  0.25772100  0.42319700  0.00000000  1.0
  Bi  Bi1  1  0.74227900  0.57680300  0.00000000  1.0
  Se  Se2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.59910600  0.63167600  0.00000000  1.0
  Se  Se4  1  0.40089400  0.36832400  0.00000000  1.0