# generated using pymatgen
data_Ca2PaIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33664227
_cell_length_b   5.83508414
_cell_length_c   5.83508339
_cell_angle_alpha   59.99999869
_cell_angle_beta   56.85908944
_cell_angle_gamma   56.85908929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2PaIr3
_chemical_formula_sum   'Ca2 Pa1 Ir3'
_cell_volume   122.04160317
_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  0.49185879  0.50271374  0.50271374  1.0
  Ca  Ca1  1  0.75814121  0.74728626  0.74728626  1.0
  Pa  Pa2  1  0.62500000  0.12500000  0.12500000  1.0
  Ir  Ir3  1  0.12500000  0.12500000  0.12500000  1.0
  Ir  Ir4  1  0.12500000  0.12500000  0.62500000  1.0
  Ir  Ir5  1  0.12500000  0.62500000  0.12500000  1.0