# generated using pymatgen
data_Pr3PtI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94031136
_cell_length_b   10.93966380
_cell_length_c   10.94040693
_cell_angle_alpha   109.27752457
_cell_angle_beta   109.85643763
_cell_angle_gamma   109.27538121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3PtI3
_chemical_formula_sum   'Pr12 Pt4 I12'
_cell_volume   1007.99236591
_cell_formula_units_Z   4
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  0.04112724  0.26924668  0.02154988  1.0
  Pr  Pr1  1  0.74771965  0.01956851  0.47841061  1.0
  Pr  Pr2  1  0.26921111  0.75002401  0.23073513  1.0
  Pr  Pr3  1  0.48075004  0.75001413  0.01922151  1.0
  Pr  Pr4  1  0.75231611  0.23080325  0.27193896  1.0
  Pr  Pr5  1  0.02158603  0.48043255  0.75236082  1.0
  Pr  Pr6  1  0.22810577  0.26921035  0.74770987  1.0
  Pr  Pr7  1  0.47841921  0.23075173  0.45885408  1.0
  Pr  Pr8  1  0.45889876  0.48042829  0.22809388  1.0
  Pr  Pr9  1  0.27185464  0.01958114  0.04108376  1.0
  Pr  Pr10  1  0.01923779  0.03847377  0.26926120  1.0
  Pr  Pr11  1  0.23079951  0.46155985  0.48080843  1.0
  Pt  Pt12  1  0.49987477  -0.00023732  0.24985875  1.0
  Pt  Pt13  1  0.25014131  0.50026608  0.00013322  1.0
  Pt  Pt14  1  0.24986214  0.25000547  0.25012717  1.0
  Pt  Pt15  1  0.00014934  0.25002493  0.49990177  1.0
  I  I16  1  0.75904429  0.74083366  0.25069821  1.0
  I  I17  1  0.99020423  0.50842647  0.24932984  1.0
  I  I18  1  0.24915188  0.75909165  0.74089710  1.0
  I  I19  1  0.75869747  0.51729811  0.50870964  1.0
  I  I20  1  0.50861111  0.24987483  0.99125871  1.0
  I  I21  1  0.74095451  0.99171193  0.98184257  1.0
  I  I22  1  0.99133468  0.98271257  0.74140827  1.0
  I  I23  1  0.51824616  0.50838922  0.75914936  1.0
  I  I24  1  0.25072783  0.99154384  0.50984987  1.0
  I  I25  1  0.74144168  0.24990348  0.75847763  1.0
  I  I26  1  0.50980805  0.75919463  0.51819305  1.0
  I  I27  1  0.98172469  0.74086719  0.99013669  1.0