# generated using pymatgen
data_ZrPa5(AlIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00783945
_cell_length_b   7.00768133
_cell_length_c   8.02033067
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.13142924
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPa5(AlIr)6
_chemical_formula_sum   'Zr1 Pa5 Al6 Ir6'
_cell_volume   340.64710575
_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
  Zr  Zr0  1  0.40337129  0.40339400  0.25000000  1.0
  Pa  Pa1  1  0.00423059  0.58438509  0.75000000  1.0
  Pa  Pa2  1  0.99493680  0.57498762  0.25000000  1.0
  Pa  Pa3  1  0.57502042  0.99500801  0.25000000  1.0
  Pa  Pa4  1  0.58433670  0.00413689  0.75000000  1.0
  Pa  Pa5  1  0.42276646  0.42278555  0.75000000  1.0
  Al  Al6  1  0.00576711  0.23730957  0.49826500  1.0
  Al  Al7  1  0.75836724  0.75836275  0.00581315  1.0
  Al  Al8  1  0.00576711  0.23730957  0.00173500  1.0
  Al  Al9  1  0.23733807  0.00580016  0.49824561  1.0
  Al  Al10  1  0.23733807  0.00580016  0.00175439  1.0
  Al  Al11  1  0.75836724  0.75836275  0.49418685  1.0
  Ir  Ir12  1  0.33395774  0.67239704  0.49813534  1.0
  Ir  Ir13  1  0.67241902  0.33397010  0.49821902  1.0
  Ir  Ir14  1  0.67241902  0.33397010  0.00178098  1.0
  Ir  Ir15  1  0.99895964  0.99896287  0.25000000  1.0
  Ir  Ir16  1  0.00068275  0.00066073  0.75000000  1.0
  Ir  Ir17  1  0.33395774  0.67239704  0.00186466  1.0