# generated using pymatgen
data_Pr6YSeI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.94011706
_cell_length_b   9.94011762
_cell_length_c   9.94011802
_cell_angle_alpha   107.89850913
_cell_angle_beta   107.89850552
_cell_angle_gamma   107.89849956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6YSeI12
_chemical_formula_sum   'Pr6 Y1 Se1 I12'
_cell_volume   797.04055449
_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
  Pr  Pr0  1  0.96201230  0.89132457  0.68499225  1.0
  Pr  Pr1  1  0.03798770  0.10867543  0.31500775  1.0
  Pr  Pr2  1  0.10867543  0.31500775  0.03798770  1.0
  Pr  Pr3  1  0.31500775  0.03798770  0.10867543  1.0
  Pr  Pr4  1  0.89132457  0.68499225  0.96201230  1.0
  Pr  Pr5  1  0.68499225  0.96201230  0.89132457  1.0
  Y  Y6  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.52148036  0.60206391  0.83592009  1.0
  I  I9  1  0.47851964  0.39793609  0.16407991  1.0
  I  I10  1  0.31307160  0.92232599  0.76916470  1.0
  I  I11  1  0.39793609  0.16407991  0.47851964  1.0
  I  I12  1  0.92232599  0.76916470  0.31307160  1.0
  I  I13  1  0.68692840  0.07767401  0.23083530  1.0
  I  I14  1  0.07767401  0.23083530  0.68692840  1.0
  I  I15  1  0.76916470  0.31307160  0.92232599  1.0
  I  I16  1  0.23083530  0.68692840  0.07767401  1.0
  I  I17  1  0.83592009  0.52148036  0.60206391  1.0
  I  I18  1  0.16407991  0.47851964  0.39793609  1.0
  I  I19  1  0.60206391  0.83592009  0.52148036  1.0