# generated using pymatgen
data_Ca2Pa(SnIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43409748
_cell_length_b   7.67914982
_cell_length_c   3.97120053
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.09655502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Pa(SnIr)3
_chemical_formula_sum   'Ca2 Pa1 Sn3 Ir3'
_cell_volume   194.12801371
_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  0.40500310  0.40621787  0.50000000  1.0
  Ca  Ca1  1  0.59499690  0.00121377  0.50000000  1.0
  Pa  Pa2  1  1.00000000  0.58786365  0.50000000  1.0
  Sn  Sn3  1  0.72783382  0.74194685  0.00000000  1.0
  Sn  Sn4  1  0.27216618  0.01411402  0.00000000  1.0
  Sn  Sn5  1  1.00000000  0.23828784  0.00000000  1.0
  Ir  Ir6  1  0.71160819  0.37191250  0.00000000  1.0
  Ir  Ir7  1  0.28839181  0.66030531  0.00000000  1.0
  Ir  Ir8  1  1.00000000  0.97813519  0.50000000  1.0