# generated using pymatgen
data_Ca7Pr(NdIr2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64692719
_cell_length_b   8.74037354
_cell_length_c   7.53630487
_cell_angle_alpha   83.33193803
_cell_angle_beta   82.88455507
_cell_angle_gamma   45.14815951
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Pr(NdIr2)2
_chemical_formula_sum   'Ca7 Pr1 Nd2 Ir4'
_cell_volume   400.34520558
_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
  Ca  Ca0  1  0.19725149  0.98420498  0.57821798  1.0
  Ca  Ca1  1  0.98154354  0.20018327  0.08555946  1.0
  Ca  Ca2  1  0.80930682  0.01365901  0.41520418  1.0
  Ca  Ca3  1  0.36155833  0.20421486  0.82008743  1.0
  Ca  Ca4  1  0.79614631  0.64034651  0.67954774  1.0
  Ca  Ca5  1  0.63345080  0.79912430  0.17719062  1.0
  Ca  Ca6  1  0.19845740  0.36599487  0.32068697  1.0
  Pr  Pr7  1  0.02416655  0.80602754  0.91691463  1.0
  Nd  Nd8  1  0.57391846  0.42969296  0.74612119  1.0
  Nd  Nd9  1  0.43697445  0.56035196  0.25403551  1.0
  Ir  Ir10  1  0.18274367  0.60202894  0.58638315  1.0
  Ir  Ir11  1  0.38312359  0.81072044  0.92456084  1.0
  Ir  Ir12  1  0.81182194  0.40602461  0.42083600  1.0
  Ir  Ir13  1  0.60953466  0.17742674  0.07465229  1.0