# generated using pymatgen
data_Hf3Sc4NbIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46795439
_cell_length_b   6.67247914
_cell_length_c   7.96617821
_cell_angle_alpha   89.51375862
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Sc4NbIr4
_chemical_formula_sum   'Hf3 Sc4 Nb1 Ir4'
_cell_volume   237.48180134
_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  0.25000000  0.35402955  0.58013767  1.0
  Hf  Hf1  1  0.25000000  0.84682848  0.91993334  1.0
  Hf  Hf2  1  0.75000000  0.65049011  0.42368300  1.0
  Sc  Sc3  1  0.25000000  0.99158051  0.31719078  1.0
  Sc  Sc4  1  0.25000000  0.48227079  0.17880229  1.0
  Sc  Sc5  1  0.75000000  0.01698432  0.67561817  1.0
  Sc  Sc6  1  0.75000000  0.50859528  0.82605157  1.0
  Nb  Nb7  1  0.75000000  0.14374834  0.07709725  1.0
  Ir  Ir8  1  0.25000000  0.23562824  0.91605826  1.0
  Ir  Ir9  1  0.25000000  0.74818366  0.59040703  1.0
  Ir  Ir10  1  0.75000000  0.76096910  0.09156179  1.0
  Ir  Ir11  1  0.75000000  0.26069163  0.40345785  1.0