# generated using pymatgen
data_Pr12Ge3PI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89828069
_cell_length_b   10.86590231
_cell_length_c   10.86590254
_cell_angle_alpha   109.41077850
_cell_angle_beta   109.53159211
_cell_angle_gamma   109.53159881
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Ge3PI12
_chemical_formula_sum   'Pr12 Ge3 P1 I12'
_cell_volume   989.79113780
_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  0.46342442  0.48658077  0.22840439  1.0
  Pr  Pr1  1  0.75000000  0.23400544  0.26599456  1.0
  Pr  Pr2  1  0.75000000  0.01528004  0.48471996  1.0
  Pr  Pr3  1  0.23471996  0.46943992  0.48471996  1.0
  Pr  Pr4  1  0.26497897  0.74182462  0.22840439  1.0
  Pr  Pr5  1  0.03657558  0.27159561  0.01341923  1.0
  Pr  Pr6  1  0.01599456  0.03198912  0.26599456  1.0
  Pr  Pr7  1  0.47684365  0.74182462  0.01341923  1.0
  Pr  Pr8  1  0.48400544  0.23400544  0.46801088  1.0
  Pr  Pr9  1  0.02315635  0.48658077  0.75817538  1.0
  Pr  Pr10  1  0.26528004  0.01528004  0.03056008  1.0
  Pr  Pr11  1  0.23502103  0.27159561  0.75817538  1.0
  Ge  Ge12  1  0.25000000  0.25052176  0.24947824  1.0
  Ge  Ge13  1  0.49947824  0.99895848  0.24947824  1.0
  Ge  Ge14  1  0.00052176  0.25052176  0.50104152  1.0
  P  P15  1  0.25000000  0.50000000  0.00000000  1.0
  I  I16  1  0.25000000  0.75769694  0.74230306  1.0
  I  I17  1  0.51537313  0.50758829  0.75806084  1.0
  I  I18  1  0.98462687  0.74193916  0.99241171  1.0
  I  I19  1  0.74268770  0.25047254  0.75806084  1.0
  I  I20  1  0.99230306  0.98460611  0.74230306  1.0
  I  I21  1  0.25000000  0.99243864  0.50756136  1.0
  I  I22  1  0.75756136  0.51512072  0.50756136  1.0
  I  I23  1  0.50778684  0.25047254  0.99241171  1.0
  I  I24  1  0.75731230  0.74193916  0.24952746  1.0
  I  I25  1  0.74243864  0.99243864  0.98487928  1.0
  I  I26  1  0.99221316  0.50758829  0.24952746  1.0
  I  I27  1  0.50769694  0.75769694  0.51539389  1.0