# generated using pymatgen
data_Ca2PaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38940665
_cell_length_b   6.38940675
_cell_length_c   7.25204075
_cell_angle_alpha   82.25645515
_cell_angle_beta   82.25645703
_cell_angle_gamma   59.45953642
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2PaIr2
_chemical_formula_sum   'Ca4 Pa2 Ir4'
_cell_volume   251.90047998
_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  0.95830534  0.73445838  0.14402454  1.0
  Ca  Ca1  1  0.26554162  0.04169466  0.35597546  1.0
  Ca  Ca2  1  0.04169466  0.26554162  0.85597546  1.0
  Ca  Ca3  1  0.73445838  0.95830534  0.64402454  1.0
  Pa  Pa4  1  0.43449048  0.56550952  0.75000000  1.0
  Pa  Pa5  1  0.56550952  0.43449048  0.25000000  1.0
  Ir  Ir6  1  0.49987760  0.79734775  0.98744926  1.0
  Ir  Ir7  1  0.20265225  0.50012240  0.51255074  1.0
  Ir  Ir8  1  0.50012240  0.20265225  0.01255074  1.0
  Ir  Ir9  1  0.79734775  0.49987760  0.48744926  1.0