# generated using pymatgen
data_Th5Ta3(P3Ru4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.77760993
_cell_length_b   12.77760886
_cell_length_c   3.97947754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000023
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Ta3(P3Ru4)4
_chemical_formula_sum   'Th5 Ta3 P12 Ru16'
_cell_volume   562.67277768
_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  0.18701881  0.18701881  0.50000000  1.0
  Th  Th1  1  0.81298119  0.00000000  0.50000000  1.0
  Th  Th2  1  1.00000000  0.81298119  0.50000000  1.0
  Th  Th3  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th4  1  0.66666700  0.33333300  0.00000000  1.0
  Ta  Ta5  1  0.56497299  0.56497299  0.00000000  1.0
  Ta  Ta6  1  0.43502701  0.00000000  0.00000000  1.0
  Ta  Ta7  1  1.00000000  0.43502701  0.00000000  1.0
  P  P8  1  0.81465703  0.81465703  0.00000000  1.0
  P  P9  1  0.18534297  1.00000000  0.00000000  1.0
  P  P10  1  0.00000000  0.18534297  0.00000000  1.0
  P  P11  1  0.16717880  0.47616216  0.50000000  1.0
  P  P12  1  0.52383784  0.69101764  0.50000000  1.0
  P  P13  1  0.30898236  0.83282120  0.50000000  1.0
  P  P14  1  0.69101764  0.52383784  0.50000000  1.0
  P  P15  1  0.83282120  0.30898236  0.50000000  1.0
  P  P16  1  0.47616216  0.16717880  0.50000000  1.0
  P  P17  1  0.36702036  0.36702036  0.00000000  1.0
  P  P18  1  0.63297964  0.00000000  0.00000000  1.0
  P  P19  1  1.00000000  0.63297964  0.00000000  1.0
  Ru  Ru20  1  0.71930642  0.71930642  0.50000000  1.0
  Ru  Ru21  1  0.28069358  1.00000000  0.50000000  1.0
  Ru  Ru22  1  0.00000000  0.28069358  0.50000000  1.0
  Ru  Ru23  1  0.18231986  0.37680791  0.00000000  1.0
  Ru  Ru24  1  0.62319209  0.80551195  0.00000000  1.0
  Ru  Ru25  1  0.19448805  0.81768014  0.00000000  1.0
  Ru  Ru26  1  0.80551195  0.62319209  0.00000000  1.0
  Ru  Ru27  1  0.81768014  0.19448805  0.00000000  1.0
  Ru  Ru28  1  0.37680791  0.18231986  0.00000000  1.0
  Ru  Ru29  1  0.36271189  0.48905846  0.50000000  1.0
  Ru  Ru30  1  0.51094154  0.87365343  0.50000000  1.0
  Ru  Ru31  1  0.12634657  0.63728811  0.50000000  1.0
  Ru  Ru32  1  0.87365343  0.51094154  0.50000000  1.0
  Ru  Ru33  1  0.63728811  0.12634657  0.50000000  1.0
  Ru  Ru34  1  0.48905846  0.36271189  0.50000000  1.0
  Ru  Ru35  1  0.00000000  0.00000000  0.00000000  1.0