# generated using pymatgen
data_Y4BI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12933936
_cell_length_b   13.91508944
_cell_length_c   14.38525338
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4BI6
_chemical_formula_sum   'Y8 B2 I12'
_cell_volume   826.57847956
_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
  Y  Y0  1  0.00000000  0.09642708  0.07705758  1.0
  Y  Y1  1  0.00000000  0.90357292  0.92294242  1.0
  Y  Y2  1  0.00000000  0.59642708  0.42294242  1.0
  Y  Y3  1  0.00000000  0.40357292  0.57705758  1.0
  Y  Y4  1  0.50000000  0.11763196  0.86199123  1.0
  Y  Y5  1  0.50000000  0.88236804  0.13800877  1.0
  Y  Y6  1  0.50000000  0.61763196  0.63800877  1.0
  Y  Y7  1  0.50000000  0.38236804  0.36199123  1.0
  B  B8  1  0.50000000  0.00000000  0.00000000  1.0
  B  B9  1  0.50000000  0.50000000  0.50000000  1.0
  I  I10  1  0.50000000  0.26880027  0.68243243  1.0
  I  I11  1  0.50000000  0.73119973  0.31756757  1.0
  I  I12  1  0.50000000  0.76880027  0.81756757  1.0
  I  I13  1  0.50000000  0.23119973  0.18243243  1.0
  I  I14  1  0.00000000  0.26468077  0.93345293  1.0
  I  I15  1  0.00000000  0.73531923  0.06654707  1.0
  I  I16  1  0.00000000  0.48313467  0.23564144  1.0
  I  I17  1  0.00000000  0.51686533  0.76435856  1.0
  I  I18  1  0.00000000  0.98313467  0.26435856  1.0
  I  I19  1  0.00000000  0.01686533  0.73564144  1.0
  I  I20  1  0.00000000  0.23531923  0.43345293  1.0
  I  I21  1  0.00000000  0.76468077  0.56654707  1.0