# generated using pymatgen
data_Ca(Pr2Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92301857
_cell_length_b   8.92301773
_cell_length_c   7.41682392
_cell_angle_alpha   83.70000981
_cell_angle_beta   83.70001209
_cell_angle_gamma   44.53556812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Pr2Ir)2
_chemical_formula_sum   'Ca2 Pr8 Ir4'
_cell_volume   411.24688244
_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  0.01355434  0.80076454  0.91287607  1.0
  Ca  Ca1  1  0.19923546  0.98644566  0.58712393  1.0
  Pr  Pr2  1  0.97871733  0.20296023  0.08301067  1.0
  Pr  Pr3  1  0.79703977  0.02128267  0.41698933  1.0
  Pr  Pr4  1  0.35343951  0.21296721  0.82232165  1.0
  Pr  Pr5  1  0.78703279  0.64656049  0.67767835  1.0
  Pr  Pr6  1  0.66413034  0.77680057  0.18180751  1.0
  Pr  Pr7  1  0.22319943  0.33586966  0.31819249  1.0
  Pr  Pr8  1  0.55664883  0.44335117  0.75000000  1.0
  Pr  Pr9  1  0.42462243  0.57537757  0.25000000  1.0
  Ir  Ir10  1  0.17355888  0.59052887  0.56816942  1.0
  Ir  Ir11  1  0.40947113  0.82644112  0.93183058  1.0
  Ir  Ir12  1  0.81652718  0.39717842  0.42408610  1.0
  Ir  Ir13  1  0.60282158  0.18347282  0.07591390  1.0