# generated using pymatgen
data_ZrFe3P3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70332762
_cell_length_b   10.18965355
_cell_length_c   11.78554405
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe3P3Ru2
_chemical_formula_sum   'Zr4 Fe12 P12 Ru8'
_cell_volume   444.73487542
_cell_formula_units_Z   4
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  0.25000000  0.58097621  0.71043500  1.0
  Zr  Zr1  1  0.25000000  0.91902379  0.21043500  1.0
  Zr  Zr2  1  0.75000000  0.41902379  0.28956500  1.0
  Zr  Zr3  1  0.75000000  0.08097621  0.78956500  1.0
  Fe  Fe4  1  0.25000000  0.22670205  0.17344608  1.0
  Fe  Fe5  1  0.25000000  0.27329795  0.67344608  1.0
  Fe  Fe6  1  0.75000000  0.77329795  0.82655392  1.0
  Fe  Fe7  1  0.75000000  0.72670205  0.32655392  1.0
  Fe  Fe8  1  0.25000000  0.88095760  0.69987352  1.0
  Fe  Fe9  1  0.25000000  0.61904240  0.19987352  1.0
  Fe  Fe10  1  0.75000000  0.11904240  0.30012648  1.0
  Fe  Fe11  1  0.75000000  0.38095760  0.80012648  1.0
  Fe  Fe12  1  0.25000000  0.46230052  0.93350924  1.0
  Fe  Fe13  1  0.25000000  0.03769948  0.43350924  1.0
  Fe  Fe14  1  0.75000000  0.53769948  0.06649076  1.0
  Fe  Fe15  1  0.75000000  0.96230052  0.56649076  1.0
  P  P16  1  0.25000000  0.42682138  0.11446619  1.0
  P  P17  1  0.25000000  0.07317862  0.61446619  1.0
  P  P18  1  0.75000000  0.57317862  0.88553381  1.0
  P  P19  1  0.75000000  0.92682138  0.38553381  1.0
  P  P20  1  0.25000000  0.27137955  0.85736405  1.0
  P  P21  1  0.25000000  0.22862045  0.35736405  1.0
  P  P22  1  0.75000000  0.72862045  0.14263595  1.0
  P  P23  1  0.75000000  0.77137955  0.64263595  1.0
  P  P24  1  0.25000000  0.60445219  0.38310704  1.0
  P  P25  1  0.25000000  0.89554781  0.88310704  1.0
  P  P26  1  0.75000000  0.39554781  0.61689296  1.0
  P  P27  1  0.75000000  0.10445219  0.11689296  1.0
  Ru  Ru28  1  0.25000000  0.70386547  0.98636742  1.0
  Ru  Ru29  1  0.25000000  0.79613453  0.48636742  1.0
  Ru  Ru30  1  0.75000000  0.29613453  0.01363258  1.0
  Ru  Ru31  1  0.75000000  0.20386547  0.51363258  1.0
  Ru  Ru32  1  0.25000000  0.40346196  0.48002735  1.0
  Ru  Ru33  1  0.25000000  0.09653804  0.98002735  1.0
  Ru  Ru34  1  0.75000000  0.59653804  0.51997265  1.0
  Ru  Ru35  1  0.75000000  0.90346196  0.01997265  1.0