# generated using pymatgen
data_CaPa3(GeIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29214392
_cell_length_b   6.96577695
_cell_length_c   7.66794636
_cell_angle_alpha   89.50472694
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa3(GeIr)4
_chemical_formula_sum   'Ca1 Pa3 Ge4 Ir4'
_cell_volume   229.24859348
_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  0.75000000  0.01071139  0.20360535  1.0
  Pa  Pa1  1  0.25000000  0.49276098  0.70185112  1.0
  Pa  Pa2  1  0.75000000  0.51028322  0.29826614  1.0
  Pa  Pa3  1  0.25000000  0.99530844  0.79807300  1.0
  Ge  Ge4  1  0.25000000  0.31399243  0.08556022  1.0
  Ge  Ge5  1  0.75000000  0.69170106  0.92088190  1.0
  Ge  Ge6  1  0.25000000  0.82239282  0.40788358  1.0
  Ge  Ge7  1  0.75000000  0.17133066  0.57939474  1.0
  Ir  Ir8  1  0.75000000  0.77007387  0.59189021  1.0
  Ir  Ir9  1  0.25000000  0.24176164  0.42062735  1.0
  Ir  Ir10  1  0.75000000  0.28137398  0.89990554  1.0
  Ir  Ir11  1  0.25000000  0.69831050  0.09206185  1.0