# generated using pymatgen
data_Hf3Sc(PIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81167982
_cell_length_b   6.46675629
_cell_length_c   7.33511470
_cell_angle_alpha   90.01795640
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Sc(PIr)4
_chemical_formula_sum   'Hf3 Sc1 P4 Ir4'
_cell_volume   180.80473308
_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
  Hf  Hf0  1  0.75000000  0.47321269  0.82382979  1.0
  Hf  Hf1  1  0.75000000  0.97335601  0.67660598  1.0
  Hf  Hf2  1  0.25000000  0.02525018  0.32187982  1.0
  Sc  Sc3  1  0.25000000  0.52733651  0.17894277  1.0
  P  P4  1  0.25000000  0.75950737  0.87793239  1.0
  P  P5  1  0.75000000  0.24147326  0.12329229  1.0
  P  P6  1  0.75000000  0.73966382  0.37535183  1.0
  P  P7  1  0.25000000  0.25998816  0.62212215  1.0
  Ir  Ir8  1  0.25000000  0.64908162  0.56601165  1.0
  Ir  Ir9  1  0.75000000  0.35023566  0.43736972  1.0
  Ir  Ir10  1  0.75000000  0.85207028  0.06103339  1.0
  Ir  Ir11  1  0.25000000  0.14882342  0.93563021  1.0