# generated using pymatgen
data_Th5As12Ru19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.99985407
_cell_length_b   12.99985418
_cell_length_c   4.08993558
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5As12Ru19
_chemical_formula_sum   'Th5 As12 Ru19'
_cell_volume   598.58257394
_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  0.18877785  0.18877785  0.50000000  1.0
  Th  Th1  1  0.81122215  0.00000000  0.50000000  1.0
  Th  Th2  1  0.00000000  0.81122215  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
  As  As5  1  0.81587861  0.81587861  0.00000000  1.0
  As  As6  1  0.18412139  1.00000000  0.00000000  1.0
  As  As7  1  1.00000000  0.18412139  0.00000000  1.0
  As  As8  1  0.16867683  0.47621658  0.50000000  1.0
  As  As9  1  0.52378342  0.69246125  0.50000000  1.0
  As  As10  1  0.30753875  0.83132317  0.50000000  1.0
  As  As11  1  0.69246125  0.52378342  0.50000000  1.0
  As  As12  1  0.83132317  0.30753875  0.50000000  1.0
  As  As13  1  0.47621658  0.16867683  0.50000000  1.0
  As  As14  1  0.37587434  0.37587434  0.00000000  1.0
  As  As15  1  0.62412566  0.00000000  0.00000000  1.0
  As  As16  1  0.00000000  0.62412566  0.00000000  1.0
  Ru  Ru17  1  0.55960243  0.55960243  0.00000000  1.0
  Ru  Ru18  1  0.44039757  1.00000000  0.00000000  1.0
  Ru  Ru19  1  1.00000000  0.44039757  0.00000000  1.0
  Ru  Ru20  1  0.71804678  0.71804678  0.50000000  1.0
  Ru  Ru21  1  0.28195322  1.00000000  0.50000000  1.0
  Ru  Ru22  1  1.00000000  0.28195322  0.50000000  1.0
  Ru  Ru23  1  0.18386773  0.37642912  0.00000000  1.0
  Ru  Ru24  1  0.62357088  0.80743861  0.00000000  1.0
  Ru  Ru25  1  0.19256139  0.81613227  0.00000000  1.0
  Ru  Ru26  1  0.80743861  0.62357088  0.00000000  1.0
  Ru  Ru27  1  0.81613227  0.19256139  0.00000000  1.0
  Ru  Ru28  1  0.37642912  0.18386773  0.00000000  1.0
  Ru  Ru29  1  0.36581654  0.49044774  0.50000000  1.0
  Ru  Ru30  1  0.50955226  0.87536680  0.50000000  1.0
  Ru  Ru31  1  0.12463320  0.63418346  0.50000000  1.0
  Ru  Ru32  1  0.87536680  0.50955226  0.50000000  1.0
  Ru  Ru33  1  0.63418346  0.12463320  0.50000000  1.0
  Ru  Ru34  1  0.49044774  0.36581654  0.50000000  1.0
  Ru  Ru35  1  0.00000000  0.00000000  0.00000000  1.0