# generated using pymatgen
data_Th5Ni(P2Ru3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.57525312
_cell_length_b   12.57374873
_cell_length_c   3.98924504
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.57460235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Ni(P2Ru3)6
_chemical_formula_sum   'Th5 Ni1 P12 Ru18'
_cell_volume   548.59088274
_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  0.66392601  0.33161974  0.00000000  1.0
  Th  Th1  1  0.33606052  0.66768583  0.00000000  1.0
  Th  Th2  1  0.81308558  0.99997757  0.50000000  1.0
  Th  Th3  1  0.18845339  0.18955454  0.50000000  1.0
  Th  Th4  1  0.00101372  0.81237090  0.50000000  1.0
  Ni  Ni5  1  0.87152448  0.50449337  0.50000000  1.0
  P  P6  1  0.62441369  0.99910019  0.00000000  1.0
  P  P7  1  0.37545070  0.37689220  0.00000000  1.0
  P  P8  1  0.00584904  0.63047837  0.00000000  1.0
  P  P9  1  0.69387298  0.52291555  0.50000000  1.0
  P  P10  1  0.82829096  0.30524983  0.50000000  1.0
  P  P11  1  0.30418991  0.82837081  0.50000000  1.0
  P  P12  1  0.52702864  0.69527889  0.50000000  1.0
  P  P13  1  0.18623520  0.00047891  0.00000000  1.0
  P  P14  1  0.81582438  0.81253353  0.00000000  1.0
  P  P15  1  0.00008249  0.18814648  0.00000000  1.0
  P  P16  1  0.47387446  0.16840042  0.50000000  1.0
  P  P17  1  0.17185149  0.47701988  0.50000000  1.0
  Ru  Ru18  1  0.62461608  0.80519322  0.00000000  1.0
  Ru  Ru19  1  0.18160210  0.38067933  0.00000000  1.0
  Ru  Ru20  1  0.37602353  0.18386616  0.00000000  1.0
  Ru  Ru21  1  0.19689624  0.81724549  0.00000000  1.0
  Ru  Ru22  1  0.80785647  0.61594279  0.00000000  1.0
  Ru  Ru23  1  0.49396632  0.36619274  0.50000000  1.0
  Ru  Ru24  1  0.63314827  0.12656402  0.50000000  1.0
  Ru  Ru25  1  0.12007517  0.63009397  0.50000000  1.0
  Ru  Ru26  1  0.36865557  0.49358026  0.50000000  1.0
  Ru  Ru27  1  0.50763826  0.87469564  0.50000000  1.0
  Ru  Ru28  1  0.99988508  0.00101453  0.00000000  1.0
  Ru  Ru29  1  0.71890047  0.71392031  0.50000000  1.0
  Ru  Ru30  1  0.99961836  0.28752237  0.50000000  1.0
  Ru  Ru31  1  0.44606745  0.00164009  0.00000000  1.0
  Ru  Ru32  1  0.55651468  0.55406294  0.00000000  1.0
  Ru  Ru33  1  0.98808855  0.44297259  0.00000000  1.0
  Ru  Ru34  1  0.81568026  0.19454483  0.00000000  1.0
  Ru  Ru35  1  0.28374350  0.99970572  0.50000000  1.0