# generated using pymatgen
data_CaPr3(NdIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.23043437
_cell_length_b   11.22828491
_cell_length_c   6.55530950
_cell_angle_alpha   90.00028053
_cell_angle_beta   90.00117204
_cell_angle_gamma   90.00005978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr3(NdIr)6
_chemical_formula_sum   'Ca2 Pr6 Nd12 Ir12'
_cell_volume   826.61480427
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.00027961  0.99960764  0.49834061  1.0
  Ca  Ca1  1  0.00028061  0.00039336  0.99833961  1.0
  Pr  Pr2  1  0.79177363  0.40907027  0.11162649  1.0
  Pr  Pr3  1  0.79177563  0.59093073  0.61162249  1.0
  Pr  Pr4  1  0.91026445  0.71192743  0.11004397  1.0
  Pr  Pr5  1  0.91026545  0.28807257  0.61004397  1.0
  Pr  Pr6  1  0.09109826  0.71153616  0.61011487  1.0
  Pr  Pr7  1  0.09109826  0.28846384  0.11011487  1.0
  Nd  Nd8  1  0.28980145  0.08854554  0.39089114  1.0
  Nd  Nd9  1  0.28980245  0.91145446  0.89089014  1.0
  Nd  Nd10  1  0.71015147  0.08856385  0.89062765  1.0
  Nd  Nd11  1  0.71015147  0.91143715  0.39062765  1.0
  Nd  Nd12  1  0.58896868  0.79290970  0.88933514  1.0
  Nd  Nd13  1  0.58896968  0.20709130  0.38933714  1.0
  Nd  Nd14  1  0.41061146  0.79235610  0.38952306  1.0
  Nd  Nd15  1  0.41061346  0.20764090  0.88952906  1.0
  Nd  Nd16  1  0.20798810  0.40967156  0.61064795  1.0
  Nd  Nd17  1  0.20798910  0.59032844  0.11064995  1.0
  Nd  Nd18  1  0.49968157  0.50029687  0.99913454  1.0
  Nd  Nd19  1  0.49968257  0.49970213  0.49913354  1.0
  Ir  Ir20  1  0.84076440  0.15594134  0.25011650  1.0
  Ir  Ir21  1  0.84076340  0.84405666  0.75011750  1.0
  Ir  Ir22  1  0.15908515  0.15721504  0.74863408  1.0
  Ir  Ir23  1  0.15908515  0.84278496  0.24863608  1.0
  Ir  Ir24  1  0.65170262  0.34568222  0.74984142  1.0
  Ir  Ir25  1  0.65170362  0.65431978  0.24984042  1.0
  Ir  Ir26  1  0.34726816  0.34670491  0.24995606  1.0
  Ir  Ir27  1  0.34726916  0.65329409  0.74995406  1.0
  Ir  Ir28  1  0.49966745  0.99998090  0.12541556  1.0
  Ir  Ir29  1  0.49966745  0.00001710  0.62541456  1.0
  Ir  Ir30  1  0.00088655  0.49999717  0.87574898  1.0
  Ir  Ir31  1  0.00088655  0.50000583  0.37575098  1.0