# generated using pymatgen
data_Th5P12Ir4Ru15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.65165829
_cell_length_b   12.65165856
_cell_length_c   3.99337144
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5P12Ir4Ru15
_chemical_formula_sum   'Th5 P12 Ir4 Ru15'
_cell_volume   553.56069654
_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
  Th  Th0  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th1  1  0.66666700  0.33333300  0.00000000  1.0
  Th  Th2  1  0.80848874  0.99870013  0.50000000  1.0
  Th  Th3  1  0.00129987  0.80978861  0.50000000  1.0
  Th  Th4  1  0.19021139  0.19151126  0.50000000  1.0
  P  P5  1  0.18456017  0.99784437  0.00000000  1.0
  P  P6  1  0.00215563  0.18671580  0.00000000  1.0
  P  P7  1  0.81328420  0.81543983  0.00000000  1.0
  P  P8  1  0.17140982  0.47670964  0.50000000  1.0
  P  P9  1  0.52329036  0.69470018  0.50000000  1.0
  P  P10  1  0.30529982  0.82859018  0.50000000  1.0
  P  P11  1  0.68754350  0.52057677  0.50000000  1.0
  P  P12  1  0.83303226  0.31245650  0.50000000  1.0
  P  P13  1  0.47942323  0.16696774  0.50000000  1.0
  P  P14  1  0.62218103  0.99524869  0.00000000  1.0
  P  P15  1  0.00475131  0.62693135  0.00000000  1.0
  P  P16  1  0.37306865  0.37781897  0.00000000  1.0
  Ir  Ir17  1  0.80953145  0.62592082  0.00000000  1.0
  Ir  Ir18  1  0.81638937  0.19046855  0.00000000  1.0
  Ir  Ir19  1  0.37407918  0.18361063  0.00000000  1.0
  Ir  Ir20  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru21  1  0.44924860  0.00597744  0.00000000  1.0
  Ru  Ru22  1  0.99402256  0.44327116  0.00000000  1.0
  Ru  Ru23  1  0.55672884  0.55075140  0.00000000  1.0
  Ru  Ru24  1  0.36783728  0.49200740  0.50000000  1.0
  Ru  Ru25  1  0.50799260  0.87583088  0.50000000  1.0
  Ru  Ru26  1  0.12416912  0.63216272  0.50000000  1.0
  Ru  Ru27  1  0.87067756  0.50885824  0.50000000  1.0
  Ru  Ru28  1  0.63817868  0.12932244  0.50000000  1.0
  Ru  Ru29  1  0.49114176  0.36182132  0.50000000  1.0
  Ru  Ru30  1  0.18099537  0.37822813  0.00000000  1.0
  Ru  Ru31  1  0.62177187  0.80276824  0.00000000  1.0
  Ru  Ru32  1  0.19723176  0.81900463  0.00000000  1.0
  Ru  Ru33  1  0.28622831  0.00147251  0.50000000  1.0
  Ru  Ru34  1  0.99852749  0.28475580  0.50000000  1.0
  Ru  Ru35  1  0.71524420  0.71377169  0.50000000  1.0