# generated using pymatgen
data_ThNbP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36431401
_cell_length_b   9.36431325
_cell_length_c   3.89754921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNbP7Ru12
_chemical_formula_sum   'Th1 Nb1 P7 Ru12'
_cell_volume   295.98801912
_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
  Nb  Nb1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60494364  0.71871865  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28128135  0.88622499  0.50000000  1.0
  P  P5  1  0.11377501  0.39505636  0.50000000  1.0
  P  P6  1  0.88717735  0.57290506  0.00000000  1.0
  P  P7  1  0.42709494  0.31427129  0.00000000  1.0
  P  P8  1  0.68572871  0.11282265  0.00000000  1.0
  Ru  Ru9  1  0.55966600  0.95861561  0.50000000  1.0
  Ru  Ru10  1  0.39894960  0.44033400  0.50000000  1.0
  Ru  Ru11  1  0.91280506  0.12166370  0.50000000  1.0
  Ru  Ru12  1  0.20885864  0.08719494  0.50000000  1.0
  Ru  Ru13  1  0.87833630  0.79114136  0.50000000  1.0
  Ru  Ru14  1  0.72481488  0.88751839  0.00000000  1.0
  Ru  Ru15  1  0.11248161  0.83729549  0.00000000  1.0
  Ru  Ru16  1  0.16270451  0.27518512  0.00000000  1.0
  Ru  Ru17  1  0.43078327  0.08031200  0.00000000  1.0
  Ru  Ru18  1  0.91968800  0.35047227  0.00000000  1.0
  Ru  Ru19  1  0.64952773  0.56921673  0.00000000  1.0
  Ru  Ru20  1  0.04138439  0.60105040  0.50000000  1.0