# generated using pymatgen
data_CaPa2(AlIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05866201
_cell_length_b   7.05866233
_cell_length_c   4.10093806
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.83262395
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa2(AlIr)3
_chemical_formula_sum   'Ca1 Pa2 Al3 Ir3'
_cell_volume   173.59558597
_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  0.41905840  0.41905840  0.50000000  1.0
  Pa  Pa1  1  0.58033301  0.00116120  0.50000000  1.0
  Pa  Pa2  1  0.00116120  0.58033301  0.50000000  1.0
  Al  Al3  1  0.75212640  0.75212640  0.00000000  1.0
  Al  Al4  1  0.22917502  0.00914912  0.00000000  1.0
  Al  Al5  1  0.00914912  0.22917502  0.00000000  1.0
  Ir  Ir6  1  0.70209642  0.32713584  0.00000000  1.0
  Ir  Ir7  1  0.32713584  0.70209642  0.00000000  1.0
  Ir  Ir8  1  0.97976361  0.97976361  0.50000000  1.0