# generated using pymatgen
data_Zr4P4IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86619832
_cell_length_b   6.48276407
_cell_length_c   7.32304295
_cell_angle_alpha   89.86309028
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4P4IrRu3
_chemical_formula_sum   'Zr4 P4 Ir1 Ru3'
_cell_volume   183.54167293
_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  0.75000000  0.52323467  0.31989620  1.0
  Zr  Zr1  1  0.25000000  0.97708919  0.81944835  1.0
  Zr  Zr2  1  0.75000000  0.02116877  0.17954528  1.0
  Zr  Zr3  1  0.25000000  0.48118936  0.68012407  1.0
  P  P4  1  0.25000000  0.73006929  0.12054630  1.0
  P  P5  1  0.25000000  0.22566062  0.38447384  1.0
  P  P6  1  0.75000000  0.27249289  0.87377256  1.0
  P  P7  1  0.75000000  0.77517551  0.61992355  1.0
  Ir  Ir8  1  0.25000000  0.34667924  0.06245969  1.0
  Ru  Ru9  1  0.25000000  0.84961048  0.43948796  1.0
  Ru  Ru10  1  0.75000000  0.15015454  0.55908882  1.0
  Ru  Ru11  1  0.75000000  0.64747544  0.94123339  1.0