# generated using pymatgen
data_Th2P7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44827510
_cell_length_b   9.44827464
_cell_length_c   3.95013205
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999727
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2P7Ru12
_chemical_formula_sum   'Th2 P7 Ru12'
_cell_volume   305.38471497
_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  0.66666700  0.33333300  0.50000000  1.0
  Th  Th1  1  0.33333300  0.66666700  0.00000000  1.0
  P  P2  1  0.60447885  0.71380607  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28619393  0.89067278  0.50000000  1.0
  P  P5  1  0.10932722  0.39552115  0.50000000  1.0
  P  P6  1  0.89266608  0.58356109  0.00000000  1.0
  P  P7  1  0.41643891  0.30910498  0.00000000  1.0
  P  P8  1  0.69089502  0.10733392  0.00000000  1.0
  Ru  Ru9  1  0.55859060  0.94684828  0.50000000  1.0
  Ru  Ru10  1  0.38825868  0.44140940  0.50000000  1.0
  Ru  Ru11  1  0.91103385  0.12288978  0.50000000  1.0
  Ru  Ru12  1  0.21185593  0.08896615  0.50000000  1.0
  Ru  Ru13  1  0.87711022  0.78814407  0.50000000  1.0
  Ru  Ru14  1  0.73014171  0.88892978  0.00000000  1.0
  Ru  Ru15  1  0.11107022  0.84120993  0.00000000  1.0
  Ru  Ru16  1  0.15879007  0.26985829  0.00000000  1.0
  Ru  Ru17  1  0.42818066  0.06877117  0.00000000  1.0
  Ru  Ru18  1  0.93122883  0.35941049  0.00000000  1.0
  Ru  Ru19  1  0.64058951  0.57181934  0.00000000  1.0
  Ru  Ru20  1  0.05315172  0.61174132  0.50000000  1.0