# generated using pymatgen
data_ScPa3(ZnIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88526465
_cell_length_b   6.94823931
_cell_length_c   8.23114961
_cell_angle_alpha   89.64051613
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPa3(ZnIr)4
_chemical_formula_sum   'Sc1 Pa3 Zn4 Ir4'
_cell_volume   222.20167171
_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
  Sc  Sc0  1  0.75000000  0.55708917  0.81279244  1.0
  Pa  Pa1  1  0.25000000  0.94839963  0.31387654  1.0
  Pa  Pa2  1  0.25000000  0.45012484  0.17944849  1.0
  Pa  Pa3  1  0.75000000  0.05467655  0.69153013  1.0
  Zn  Zn4  1  0.25000000  0.38955731  0.56326321  1.0
  Zn  Zn5  1  0.25000000  0.86034560  0.93894947  1.0
  Zn  Zn6  1  0.75000000  0.61916605  0.44870877  1.0
  Zn  Zn7  1  0.75000000  0.12011684  0.05484016  1.0
  Ir  Ir8  1  0.25000000  0.25897658  0.86724058  1.0
  Ir  Ir9  1  0.25000000  0.77589606  0.62690256  1.0
  Ir  Ir10  1  0.75000000  0.73258753  0.13594293  1.0
  Ir  Ir11  1  0.75000000  0.23306385  0.36650572  1.0