# generated using pymatgen
data_Nb4Si4IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82842993
_cell_length_b   6.39910668
_cell_length_c   7.27146389
_cell_angle_alpha   90.16135595
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Si4IrRu3
_chemical_formula_sum   'Nb4 Si4 Ir1 Ru3'
_cell_volume   178.13948125
_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
  Nb  Nb0  1  0.75000000  0.52113509  0.82005122  1.0
  Nb  Nb1  1  0.25000000  0.97710763  0.32265313  1.0
  Nb  Nb2  1  0.75000000  0.01745419  0.67831292  1.0
  Nb  Nb3  1  0.25000000  0.48204302  0.17961736  1.0
  Si  Si4  1  0.25000000  0.22602425  0.87563306  1.0
  Si  Si5  1  0.25000000  0.72272911  0.62265626  1.0
  Si  Si6  1  0.75000000  0.77485719  0.12083366  1.0
  Si  Si7  1  0.75000000  0.27470621  0.38043023  1.0
  Ir  Ir8  1  0.75000000  0.15130122  0.06405150  1.0
  Ru  Ru9  1  0.25000000  0.85293016  0.93725327  1.0
  Ru  Ru10  1  0.25000000  0.35004454  0.56280086  1.0
  Ru  Ru11  1  0.75000000  0.64966940  0.43570752  1.0