# generated using pymatgen
data_Pr12In(PbI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.16864625
_cell_length_b   11.15296558
_cell_length_c   11.15296700
_cell_angle_alpha   109.44272505
_cell_angle_beta   109.49970083
_cell_angle_gamma   109.49970001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12In(PbI4)3
_chemical_formula_sum   'Pr12 In1 Pb3 I12'
_cell_volume   1069.07127916
_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  0.48144482  0.49349603  0.23907262  1.0
  Pr  Pr1  1  0.75000000  0.24117179  0.25882821  1.0
  Pr  Pr2  1  0.75000000  0.00850321  0.49149679  1.0
  Pr  Pr3  1  0.24149679  0.48299259  0.49149679  1.0
  Pr  Pr4  1  0.25762680  0.74557659  0.23907262  1.0
  Pr  Pr5  1  0.01855518  0.26092738  0.00650397  1.0
  Pr  Pr6  1  0.00882821  0.01765743  0.25882821  1.0
  Pr  Pr7  1  0.48794979  0.74557659  0.00650397  1.0
  Pr  Pr8  1  0.49117179  0.24117179  0.48234257  1.0
  Pr  Pr9  1  0.01205021  0.49349603  0.75442341  1.0
  Pr  Pr10  1  0.25850321  0.00850321  0.01700741  1.0
  Pr  Pr11  1  0.24237320  0.26092738  0.75442341  1.0
  In  In12  1  0.25000000  0.50000000  0.00000000  1.0
  Pb  Pb13  1  0.25000000  0.25036350  0.24963650  1.0
  Pb  Pb14  1  0.49963650  0.99927301  0.24963650  1.0
  Pb  Pb15  1  0.00036350  0.25036350  0.50072699  1.0
  I  I16  1  0.25000000  0.75649546  0.74350454  1.0
  I  I17  1  0.51160640  0.50492789  0.75493302  1.0
  I  I18  1  0.98839360  0.74506698  0.99507211  1.0
  I  I19  1  0.74332562  0.25000512  0.75493302  1.0
  I  I20  1  0.99350454  0.98701107  0.74350454  1.0
  I  I21  1  0.25000000  0.99458830  0.50541170  1.0
  I  I22  1  0.75541170  0.51082240  0.50541170  1.0
  I  I23  1  0.50667951  0.25000512  0.99507211  1.0
  I  I24  1  0.75667438  0.74506698  0.24999488  1.0
  I  I25  1  0.74458830  0.99458830  0.98917760  1.0
  I  I26  1  0.99332049  0.50492789  0.24999488  1.0
  I  I27  1  0.50649546  0.75649546  0.51298893  1.0