# generated using pymatgen
data_Nd12Ir(PtI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91481020
_cell_length_b   10.83283716
_cell_length_c   10.83283717
_cell_angle_alpha   109.31742225
_cell_angle_beta   109.62457187
_cell_angle_gamma   109.62458801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Ir(PtI4)3
_chemical_formula_sum   'Nd12 Ir1 Pt3 I12'
_cell_volume   984.13182925
_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
  Nd  Nd0  1  0.45807473  0.48208618  0.22653415  1.0
  Nd  Nd1  1  0.75000000  0.22928958  0.27071042  1.0
  Nd  Nd2  1  0.75000000  0.02070534  0.47929466  1.0
  Nd  Nd3  1  0.22929466  0.45859232  0.47929466  1.0
  Nd  Nd4  1  0.26846142  0.74444797  0.22653415  1.0
  Nd  Nd5  1  0.04192527  0.27346585  0.01791382  1.0
  Nd  Nd6  1  0.02071042  0.04141885  0.27071042  1.0
  Nd  Nd7  1  0.47598655  0.74444797  0.01791382  1.0
  Nd  Nd8  1  0.47928958  0.22928958  0.45858115  1.0
  Nd  Nd9  1  0.02401345  0.48208618  0.75555203  1.0
  Nd  Nd10  1  0.27070534  0.02070534  0.04140768  1.0
  Nd  Nd11  1  0.23153858  0.27346585  0.75555203  1.0
  Ir  Ir12  1  0.25000000  0.50000000  0.00000000  1.0
  Pt  Pt13  1  0.25000000  0.25033147  0.24966853  1.0
  Pt  Pt14  1  0.49966853  0.99933706  0.24966853  1.0
  Pt  Pt15  1  0.00033147  0.25033147  0.50066294  1.0
  I  I16  1  0.25000000  0.75887456  0.74112544  1.0
  I  I17  1  0.51720437  0.50828622  0.75792468  1.0
  I  I18  1  0.98279563  0.74207532  0.99171378  1.0
  I  I19  1  0.74071730  0.24963845  0.75792468  1.0
  I  I20  1  0.99112544  0.98225288  0.74112544  1.0
  I  I21  1  0.25000000  0.99223390  0.50776610  1.0
  I  I22  1  0.75776610  0.51552921  0.50776610  1.0
  I  I23  1  0.50892115  0.24963845  0.99171378  1.0
  I  I24  1  0.75928270  0.74207532  0.25036155  1.0
  I  I25  1  0.74223390  0.99223390  0.98447079  1.0
  I  I26  1  0.99107885  0.50828622  0.25036155  1.0
  I  I27  1  0.50887456  0.75887456  0.51774712  1.0