# generated using pymatgen
data_Ca2Pr3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85858664
_cell_length_b   8.85858739
_cell_length_c   7.45466766
_cell_angle_alpha   83.48424179
_cell_angle_beta   83.48423923
_cell_angle_gamma   44.56235026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Pr3Ir2
_chemical_formula_sum   'Ca4 Pr6 Ir4'
_cell_volume   407.38867784
_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  0.01492174  0.80285646  0.91447233  1.0
  Ca  Ca1  1  0.19714354  0.98507826  0.58552767  1.0
  Ca  Ca2  1  0.98507826  0.19714354  0.08552767  1.0
  Ca  Ca3  1  0.80285646  0.01492174  0.41447233  1.0
  Pr  Pr4  1  0.34811434  0.21375075  0.81779554  1.0
  Pr  Pr5  1  0.78624925  0.65188566  0.68220446  1.0
  Pr  Pr6  1  0.65188566  0.78624925  0.18220446  1.0
  Pr  Pr7  1  0.21375075  0.34811434  0.31779554  1.0
  Pr  Pr8  1  0.56563143  0.43436857  0.75000000  1.0
  Pr  Pr9  1  0.43436857  0.56563143  0.25000000  1.0
  Ir  Ir10  1  0.18359380  0.58764538  0.57172167  1.0
  Ir  Ir11  1  0.41235462  0.81640620  0.92827833  1.0
  Ir  Ir12  1  0.81640620  0.41235462  0.42827833  1.0
  Ir  Ir13  1  0.58764538  0.18359380  0.07172167  1.0