# generated using pymatgen
data_ThMg4P12Ru19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.35321606
_cell_length_b   12.35321608
_cell_length_c   3.94776652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMg4P12Ru19
_chemical_formula_sum   'Th1 Mg4 P12 Ru19'
_cell_volume   521.72563440
_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
  Mg  Mg1  1  0.81499796  0.99961849  0.50000000  1.0
  Mg  Mg2  1  0.00038151  0.81537947  0.50000000  1.0
  Mg  Mg3  1  0.18462053  0.18500204  0.50000000  1.0
  Mg  Mg4  1  0.66666700  0.33333300  0.00000000  1.0
  P  P5  1  0.18401313  0.00763908  0.00000000  1.0
  P  P6  1  0.99236092  0.17637404  0.00000000  1.0
  P  P7  1  0.82362596  0.81598687  0.00000000  1.0
  P  P8  1  0.53381623  0.69710555  0.50000000  1.0
  P  P9  1  0.30289445  0.83671168  0.50000000  1.0
  P  P10  1  0.16328832  0.46618377  0.50000000  1.0
  P  P11  1  0.47217998  0.17388654  0.50000000  1.0
  P  P12  1  0.70170656  0.52782002  0.50000000  1.0
  P  P13  1  0.82611346  0.29829344  0.50000000  1.0
  P  P14  1  0.61725122  0.00126717  0.00000000  1.0
  P  P15  1  0.99873283  0.61598305  0.00000000  1.0
  P  P16  1  0.38401695  0.38274878  0.00000000  1.0
  Ru  Ru17  1  0.43104562  0.98902740  0.00000000  1.0
  Ru  Ru18  1  0.01097260  0.44201822  0.00000000  1.0
  Ru  Ru19  1  0.55798178  0.56895438  0.00000000  1.0
  Ru  Ru20  1  0.27452544  0.00493890  0.50000000  1.0
  Ru  Ru21  1  0.99506110  0.26958654  0.50000000  1.0
  Ru  Ru22  1  0.73041346  0.72547456  0.50000000  1.0
  Ru  Ru23  1  0.64285404  0.82773552  0.00000000  1.0
  Ru  Ru24  1  0.17226448  0.81511851  0.00000000  1.0
  Ru  Ru25  1  0.18488149  0.35714596  0.00000000  1.0
  Ru  Ru26  1  0.37517861  0.19240950  0.00000000  1.0
  Ru  Ru27  1  0.81723289  0.62482139  0.00000000  1.0
  Ru  Ru28  1  0.80759050  0.18276711  0.00000000  1.0
  Ru  Ru29  1  0.50827272  0.87330732  0.50000000  1.0
  Ru  Ru30  1  0.12669268  0.63496741  0.50000000  1.0
  Ru  Ru31  1  0.36503259  0.49172728  0.50000000  1.0
  Ru  Ru32  1  0.50161954  0.37388928  0.50000000  1.0
  Ru  Ru33  1  0.87227174  0.49838046  0.50000000  1.0
  Ru  Ru34  1  0.62611072  0.12772826  0.50000000  1.0
  Ru  Ru35  1  0.00000000  0.00000000  0.00000000  1.0