# generated using pymatgen
data_Nd12Pt3AuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91815136
_cell_length_b   10.91815252
_cell_length_c   10.82071768
_cell_angle_alpha   109.29054423
_cell_angle_beta   109.29054636
_cell_angle_gamma   109.65128688
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Pt3AuI12
_chemical_formula_sum   'Nd12 Pt3 Au1 I12'
_cell_volume   995.16704266
_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  0.04062513  0.27031207  0.02031207  1.0
  Nd  Nd1  1  0.75769410  0.02365170  0.48449602  1.0
  Nd  Nd2  1  0.26595660  0.74230590  0.22680092  1.0
  Nd  Nd3  1  0.47634830  0.74230590  0.01550398  1.0
  Nd  Nd4  1  0.75769410  0.23404340  0.27319908  1.0
  Nd  Nd5  1  0.02079423  0.47920577  0.75000000  1.0
  Nd  Nd6  1  0.22968793  0.27031207  0.75000000  1.0
  Nd  Nd7  1  0.47634830  0.23404340  0.46084532  1.0
  Nd  Nd8  1  0.45841154  0.47920577  0.22920577  1.0
  Nd  Nd9  1  0.26595660  0.02365170  0.03915468  1.0
  Nd  Nd10  1  0.02079423  0.04158846  0.27079423  1.0
  Nd  Nd11  1  0.22968793  0.45937487  0.47968793  1.0
  Pt  Pt12  1  0.24922129  0.49844358  0.99922129  1.0
  Pt  Pt13  1  0.24922129  0.25077871  0.25000000  1.0
  Pt  Pt14  1  0.00155642  0.25077871  0.50077871  1.0
  Au  Au15  1  0.50000000  0.00000000  0.25000000  1.0
  I  I16  1  0.75716427  0.74283573  0.25000000  1.0
  I  I17  1  0.99043052  0.50956948  0.25000000  1.0
  I  I18  1  0.25033568  0.75842947  0.74318300  1.0
  I  I19  1  0.75716427  0.51432955  0.50716427  1.0
  I  I20  1  0.50809179  0.24966432  0.99284632  1.0
  I  I21  1  0.74157053  0.99190821  0.98475253  1.0
  I  I22  1  0.99043052  0.98086004  0.74043052  1.0
  I  I23  1  0.51913996  0.50956948  0.75956948  1.0
  I  I24  1  0.25033568  0.99190821  0.50715368  1.0
  I  I25  1  0.74157053  0.24966432  0.75681700  1.0
  I  I26  1  0.50809179  0.75842947  0.51524747  1.0
  I  I27  1  0.98567045  0.74283573  0.99283573  1.0