# generated using pymatgen
data_Ca3Sn2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88938334
_cell_length_b   8.31376460
_cell_length_c   14.02192390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Sn2IrPd
_chemical_formula_sum   'Ca12 Sn8 Ir4 Pd4'
_cell_volume   686.55471331
_cell_formula_units_Z   4
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  0.14705427  0.38864386  0.59453994  1.0
  Ca  Ca1  1  0.85294573  0.61135614  0.09453994  1.0
  Ca  Ca2  1  0.14705427  0.11135614  0.40546006  1.0
  Ca  Ca3  1  0.85294573  0.88864386  0.90546006  1.0
  Ca  Ca4  1  0.84402288  0.59810111  0.40070385  1.0
  Ca  Ca5  1  0.15597712  0.40189889  0.90070385  1.0
  Ca  Ca6  1  0.84402288  0.90189889  0.59929615  1.0
  Ca  Ca7  1  0.15597712  0.09810111  0.09929615  1.0
  Ca  Ca8  1  0.63209777  0.25113817  0.75084779  1.0
  Ca  Ca9  1  0.36790223  0.74886183  0.25084779  1.0
  Ca  Ca10  1  0.63209777  0.24886183  0.24915221  1.0
  Ca  Ca11  1  0.36790223  0.75113817  0.74915221  1.0
  Sn  Sn12  1  0.63159460  0.25000000  0.50000000  1.0
  Sn  Sn13  1  0.36840540  0.75000000  0.00000000  1.0
  Sn  Sn14  1  0.34261601  0.75000000  0.50000000  1.0
  Sn  Sn15  1  0.65738399  0.25000000  0.00000000  1.0
  Sn  Sn16  1  0.13968283  0.09761384  0.74925495  1.0
  Sn  Sn17  1  0.86031717  0.90238616  0.24925495  1.0
  Sn  Sn18  1  0.13968283  0.40238616  0.25074505  1.0
  Sn  Sn19  1  0.86031717  0.59761384  0.75074505  1.0
  Ir  Ir20  1  0.36903407  0.03200441  0.58904516  1.0
  Ir  Ir21  1  0.63096593  0.96799559  0.08904516  1.0
  Ir  Ir22  1  0.36903407  0.46799559  0.41095484  1.0
  Ir  Ir23  1  0.63096593  0.53200441  0.91095484  1.0
  Pd  Pd24  1  0.62459051  0.96000384  0.40954705  1.0
  Pd  Pd25  1  0.37540949  0.03999616  0.90954705  1.0
  Pd  Pd26  1  0.62459051  0.53999616  0.59045295  1.0
  Pd  Pd27  1  0.37540949  0.46000384  0.09045295  1.0