# generated using pymatgen
data_CaPr4Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.25380552
_cell_length_b   11.25380552
_cell_length_c   6.56377992
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr4Ir3
_chemical_formula_sum   'Ca4 Pr16 Ir12'
_cell_volume   831.29050963
_cell_formula_units_Z   4
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  0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca2  1  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca3  1  0.00000000  0.00000000  0.50000000  1.0
  Pr  Pr4  1  0.09013460  0.28978626  0.10942889  1.0
  Pr  Pr5  1  0.78978626  0.40986540  0.10942889  1.0
  Pr  Pr6  1  0.21021374  0.59013460  0.10942889  1.0
  Pr  Pr7  1  0.90986540  0.71021374  0.10942889  1.0
  Pr  Pr8  1  0.40986540  0.78978626  0.39057111  1.0
  Pr  Pr9  1  0.59013460  0.21021374  0.39057111  1.0
  Pr  Pr10  1  0.28978626  0.09013460  0.39057111  1.0
  Pr  Pr11  1  0.71021374  0.90986540  0.39057111  1.0
  Pr  Pr12  1  0.40986540  0.21021374  0.89057111  1.0
  Pr  Pr13  1  0.71021374  0.09013460  0.89057111  1.0
  Pr  Pr14  1  0.28978626  0.90986540  0.89057111  1.0
  Pr  Pr15  1  0.59013460  0.78978626  0.89057111  1.0
  Pr  Pr16  1  0.09013460  0.71021374  0.60942889  1.0
  Pr  Pr17  1  0.90986540  0.28978626  0.60942889  1.0
  Pr  Pr18  1  0.21021374  0.40986540  0.60942889  1.0
  Pr  Pr19  1  0.78978626  0.59013460  0.60942889  1.0
  Ir  Ir20  1  0.15688184  0.84311816  0.25000000  1.0
  Ir  Ir21  1  0.34311816  0.34311816  0.25000000  1.0
  Ir  Ir22  1  0.65688184  0.65688184  0.25000000  1.0
  Ir  Ir23  1  0.84311816  0.15688184  0.25000000  1.0
  Ir  Ir24  1  0.34311816  0.65688184  0.75000000  1.0
  Ir  Ir25  1  0.15688184  0.15688184  0.75000000  1.0
  Ir  Ir26  1  0.84311816  0.84311816  0.75000000  1.0
  Ir  Ir27  1  0.65688184  0.34311816  0.75000000  1.0
  Ir  Ir28  1  0.00000000  0.50000000  0.37720085  1.0
  Ir  Ir29  1  0.50000000  0.00000000  0.12279915  1.0
  Ir  Ir30  1  0.50000000  0.00000000  0.62279915  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.87720085  1.0