# generated using pymatgen
data_La5P12IrRu18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.63524363
_cell_length_b   12.63524511
_cell_length_c   4.02516845
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999612
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5P12IrRu18
_chemical_formula_sum   'La5 P12 Ir1 Ru18'
_cell_volume   556.52156757
_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
  La  La0  1  0.33333300  0.66666700  0.00000000  1.0
  La  La1  1  0.66666700  0.33333300  0.00000000  1.0
  La  La2  1  0.81379766  0.00000000  0.50000000  1.0
  La  La3  1  1.00000000  0.81379766  0.50000000  1.0
  La  La4  1  0.18620234  0.18620234  0.50000000  1.0
  P  P5  1  0.19071802  0.00000000  0.00000000  1.0
  P  P6  1  1.00000000  0.19071802  0.00000000  1.0
  P  P7  1  0.80928198  0.80928198  0.00000000  1.0
  P  P8  1  0.17043442  0.47432052  0.50000000  1.0
  P  P9  1  0.52567948  0.69611390  0.50000000  1.0
  P  P10  1  0.30388610  0.82956558  0.50000000  1.0
  P  P11  1  0.69611390  0.52567948  0.50000000  1.0
  P  P12  1  0.82956558  0.30388610  0.50000000  1.0
  P  P13  1  0.47432052  0.17043442  0.50000000  1.0
  P  P14  1  0.62186095  0.00000000  0.00000000  1.0
  P  P15  1  0.00000000  0.62186095  0.00000000  1.0
  P  P16  1  0.37813905  0.37813905  0.00000000  1.0
  Ir  Ir17  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru18  1  0.44388717  0.00000000  0.00000000  1.0
  Ru  Ru19  1  1.00000000  0.44388717  0.00000000  1.0
  Ru  Ru20  1  0.55611283  0.55611283  0.00000000  1.0
  Ru  Ru21  1  0.36785242  0.49180360  0.50000000  1.0
  Ru  Ru22  1  0.50819640  0.87604882  0.50000000  1.0
  Ru  Ru23  1  0.12395118  0.63214758  0.50000000  1.0
  Ru  Ru24  1  0.87604882  0.50819640  0.50000000  1.0
  Ru  Ru25  1  0.63214758  0.12395118  0.50000000  1.0
  Ru  Ru26  1  0.49180360  0.36785242  0.50000000  1.0
  Ru  Ru27  1  0.18493013  0.37925703  0.00000000  1.0
  Ru  Ru28  1  0.62074297  0.80567410  0.00000000  1.0
  Ru  Ru29  1  0.19432590  0.81506987  0.00000000  1.0
  Ru  Ru30  1  0.80567410  0.62074297  0.00000000  1.0
  Ru  Ru31  1  0.81506987  0.19432590  0.00000000  1.0
  Ru  Ru32  1  0.37925703  0.18493013  0.00000000  1.0
  Ru  Ru33  1  0.28519144  0.00000000  0.50000000  1.0
  Ru  Ru34  1  1.00000000  0.28519144  0.50000000  1.0
  Ru  Ru35  1  0.71480856  0.71480856  0.50000000  1.0