# generated using pymatgen
data_Ca8YPaIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68030822
_cell_length_b   7.34478612
_cell_length_c   8.75259464
_cell_angle_alpha   97.32212514
_cell_angle_beta   112.43399967
_cell_angle_gamma   89.99999817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8YPaIr4
_chemical_formula_sum   'Ca8 Y1 Pa1 Ir4'
_cell_volume   393.15756083
_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  0.98083763  0.92051717  0.17568922  1.0
  Ca  Ca1  1  0.80514641  0.57948283  0.82431078  1.0
  Ca  Ca2  1  0.02322540  0.08317412  0.82487813  1.0
  Ca  Ca3  1  0.19834927  0.41682588  0.17512187  1.0
  Ca  Ca4  1  0.63602961  0.81531798  0.43847456  1.0
  Ca  Ca5  1  0.19755505  0.68468202  0.56152544  1.0
  Ca  Ca6  1  0.36420152  0.18404426  0.57096933  1.0
  Ca  Ca7  1  0.79323220  0.31595574  0.42903067  1.0
  Y  Y8  1  0.56719679  0.25000000  1.00000000  1.0
  Pa  Pa9  1  0.44308830  0.75000000  0.00000000  1.0
  Ir  Ir10  1  0.78665087  0.58131537  0.19893276  1.0
  Ir  Ir11  1  0.58771811  0.91868463  0.80106724  1.0
  Ir  Ir12  1  0.21391308  0.45274285  0.81105832  1.0
  Ir  Ir13  1  0.40285576  0.04725715  0.18894168  1.0