# generated using pymatgen
data_Ca4PrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68476255
_cell_length_b   8.68476250
_cell_length_c   7.51317351
_cell_angle_alpha   82.83427251
_cell_angle_beta   82.83427430
_cell_angle_gamma   45.14515163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4PrIr2
_chemical_formula_sum   'Ca8 Pr2 Ir4'
_cell_volume   398.03610946
_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  0.01596189  0.80803715  0.91560278  1.0
  Ca  Ca1  1  0.19196285  0.98403811  0.58439722  1.0
  Ca  Ca2  1  0.98403811  0.19196285  0.08439722  1.0
  Ca  Ca3  1  0.80803715  0.01596189  0.41560278  1.0
  Ca  Ca4  1  0.35982084  0.20267957  0.82115355  1.0
  Ca  Ca5  1  0.79732043  0.64017916  0.67884645  1.0
  Ca  Ca6  1  0.64017916  0.79732043  0.17884645  1.0
  Ca  Ca7  1  0.20267957  0.35982084  0.32115355  1.0
  Pr  Pr8  1  0.56506213  0.43493787  0.75000000  1.0
  Pr  Pr9  1  0.43493787  0.56506213  0.25000000  1.0
  Ir  Ir10  1  0.18385972  0.60045951  0.57860993  1.0
  Ir  Ir11  1  0.39954049  0.81614028  0.92139007  1.0
  Ir  Ir12  1  0.81614028  0.39954049  0.42139007  1.0
  Ir  Ir13  1  0.60045951  0.18385972  0.07860993  1.0