# generated using pymatgen
data_Ca(Pr3Ir2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.28782445
_cell_length_b   11.28782445
_cell_length_c   6.58311312
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Pr3Ir2)3
_chemical_formula_sum   'Ca2 Pr18 Ir12'
_cell_volume   838.78723146
_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  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Pr  Pr2  1  0.28858316  0.08974418  0.39033944  1.0
  Pr  Pr3  1  0.28858316  0.91025582  0.89033944  1.0
  Pr  Pr4  1  0.71141684  0.08974418  0.89033944  1.0
  Pr  Pr5  1  0.71141684  0.91025582  0.39033944  1.0
  Pr  Pr6  1  0.59016850  0.79253019  0.88878005  1.0
  Pr  Pr7  1  0.59016850  0.20746981  0.38878005  1.0
  Pr  Pr8  1  0.40983150  0.79253019  0.38878005  1.0
  Pr  Pr9  1  0.40983150  0.20746981  0.88878005  1.0
  Pr  Pr10  1  0.20746981  0.40983150  0.61121995  1.0
  Pr  Pr11  1  0.20746981  0.59016850  0.11121995  1.0
  Pr  Pr12  1  0.79253019  0.40983150  0.11121995  1.0
  Pr  Pr13  1  0.79253019  0.59016850  0.61121995  1.0
  Pr  Pr14  1  0.91025582  0.71141684  0.10966056  1.0
  Pr  Pr15  1  0.91025582  0.28858316  0.60966056  1.0
  Pr  Pr16  1  0.08974418  0.71141684  0.60966056  1.0
  Pr  Pr17  1  0.08974418  0.28858316  0.10966056  1.0
  Pr  Pr18  1  0.50000000  0.50000000  0.00000000  1.0
  Pr  Pr19  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir20  1  0.84278172  0.15721828  0.25000000  1.0
  Ir  Ir21  1  0.84278172  0.84278172  0.75000000  1.0
  Ir  Ir22  1  0.15721828  0.15721828  0.75000000  1.0
  Ir  Ir23  1  0.15721828  0.84278172  0.25000000  1.0
  Ir  Ir24  1  0.65372527  0.34627473  0.75000000  1.0
  Ir  Ir25  1  0.65372527  0.65372527  0.25000000  1.0
  Ir  Ir26  1  0.34627473  0.34627473  0.25000000  1.0
  Ir  Ir27  1  0.34627473  0.65372527  0.75000000  1.0
  Ir  Ir28  1  0.50000000  0.00000000  0.12352835  1.0
  Ir  Ir29  1  0.50000000  0.00000000  0.62352835  1.0
  Ir  Ir30  1  0.00000000  0.50000000  0.87647165  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.37647165  1.0