# generated using pymatgen
data_Th6CoP12Ru17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98288481
_cell_length_b   11.21560926
_cell_length_c   12.70251374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6CoP12Ru17
_chemical_formula_sum   'Th6 Co1 P12 Ru17'
_cell_volume   567.42738326
_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  0.00000000  0.50000000  0.52469747  1.0
  Th  Th1  1  0.50000000  0.00000000  0.47468087  1.0
  Th  Th2  1  0.50000000  0.81797069  0.20420415  1.0
  Th  Th3  1  0.50000000  0.18202931  0.20420415  1.0
  Th  Th4  1  0.00000000  0.68394485  0.79643110  1.0
  Th  Th5  1  0.00000000  0.31605515  0.79643110  1.0
  Co  Co6  1  0.50000000  0.00000000  0.01295857  1.0
  P  P7  1  0.50000000  0.50000000  0.88445852  1.0
  P  P8  1  0.00000000  0.00000000  0.11566656  1.0
  P  P9  1  0.50000000  0.50000000  0.33352725  1.0
  P  P10  1  0.00000000  0.00000000  0.66514953  1.0
  P  P11  1  0.50000000  0.29900682  0.61482122  1.0
  P  P12  1  0.50000000  0.70099318  0.61482122  1.0
  P  P13  1  0.00000000  0.20124837  0.38519737  1.0
  P  P14  1  0.00000000  0.79875163  0.38519737  1.0
  P  P15  1  0.50000000  0.85238030  0.90089415  1.0
  P  P16  1  0.50000000  0.14761970  0.90089415  1.0
  P  P17  1  0.00000000  0.65465937  0.10040426  1.0
  P  P18  1  0.00000000  0.34534063  0.10040426  1.0
  Ru  Ru19  1  0.50000000  0.50000000  0.15278870  1.0
  Ru  Ru20  1  0.00000000  0.00000000  0.84630782  1.0
  Ru  Ru21  1  0.50000000  0.50000000  0.69241171  1.0
  Ru  Ru22  1  0.00000000  0.00000000  0.30667165  1.0
  Ru  Ru23  1  0.00000000  0.50000000  0.98694832  1.0
  Ru  Ru24  1  0.50000000  0.32980217  0.98865901  1.0
  Ru  Ru25  1  0.50000000  0.67019783  0.98865901  1.0
  Ru  Ru26  1  0.00000000  0.16203416  0.01124863  1.0
  Ru  Ru27  1  0.00000000  0.83796584  0.01124863  1.0
  Ru  Ru28  1  0.50000000  0.30011555  0.42910052  1.0
  Ru  Ru29  1  0.50000000  0.69988445  0.42910052  1.0
  Ru  Ru30  1  0.00000000  0.19943649  0.57123688  1.0
  Ru  Ru31  1  0.00000000  0.80056351  0.57123688  1.0
  Ru  Ru32  1  0.50000000  0.87969763  0.71699748  1.0
  Ru  Ru33  1  0.50000000  0.12030237  0.71699748  1.0
  Ru  Ru34  1  0.00000000  0.62107906  0.28267476  1.0
  Ru  Ru35  1  0.00000000  0.37892094  0.28267476  1.0