# generated using pymatgen
data_BiTeI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39568684
_cell_length_b   4.39568769
_cell_length_c   7.22271835
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiTeI
_chemical_formula_sum   'Bi1 Te1 I1'
_cell_volume   120.86064636
_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  0.92133509  1.0
  Te  Te1  1  0.66666700  0.33333300  0.68687904  1.0
  I  I2  1  0.33333300  0.66666700  0.21108586  1.0