# generated using pymatgen
data_Tb4ScP12Ru19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95858012
_cell_length_b   12.42133505
_cell_length_c   12.43827979
_cell_angle_alpha   120.04281773
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4ScP12Ru19
_chemical_formula_sum   'Tb4 Sc1 P12 Ru19'
_cell_volume   529.43314542
_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
  Tb  Tb0  1  0.50000000  0.18329622  0.00011456  1.0
  Tb  Tb1  1  0.50000000  0.81666893  0.81674893  1.0
  Tb  Tb2  1  0.00000000  0.33323044  0.66557416  1.0
  Tb  Tb3  1  0.00000000  0.66676941  0.33244491  1.0
  Sc  Sc4  1  0.50000000  0.00004395  0.18149734  1.0
  P  P5  1  0.00000000  0.99996413  0.81629513  1.0
  P  P6  1  0.00000000  0.81683099  0.00158211  1.0
  P  P7  1  0.00000000  0.18316710  0.18479147  1.0
  P  P8  1  0.50000000  0.30531143  0.47617959  1.0
  P  P9  1  0.50000000  0.17114048  0.69377916  1.0
  P  P10  1  0.50000000  0.52459115  0.82993257  1.0
  P  P11  1  0.50000000  0.82878437  0.52263915  1.0
  P  P12  1  0.50000000  0.47541213  0.30543058  1.0
  P  P13  1  0.50000000  0.69471475  0.17087187  1.0
  P  P14  1  0.00000000  0.00004178  0.37281642  1.0
  P  P15  1  0.00000000  0.37380601  0.00032007  1.0
  P  P16  1  0.00000000  0.62617533  0.62646421  1.0
  Ru  Ru17  1  0.00000000  0.99999469  0.55451228  1.0
  Ru  Ru18  1  0.00000000  0.55665519  0.00201060  1.0
  Ru  Ru19  1  0.00000000  0.44331316  0.44533679  1.0
  Ru  Ru20  1  0.50000000  0.99996203  0.71735591  1.0
  Ru  Ru21  1  0.50000000  0.72028090  0.00185848  1.0
  Ru  Ru22  1  0.50000000  0.27974668  0.28163616  1.0
  Ru  Ru23  1  0.00000000  0.18749765  0.37328874  1.0
  Ru  Ru24  1  0.00000000  0.18527687  0.80813157  1.0
  Ru  Ru25  1  0.00000000  0.62366021  0.81590910  1.0
  Ru  Ru26  1  0.00000000  0.81465006  0.62283252  1.0
  Ru  Ru27  1  0.00000000  0.37636254  0.19233955  1.0
  Ru  Ru28  1  0.00000000  0.81254974  0.18577882  1.0
  Ru  Ru29  1  0.50000000  0.12578264  0.49134143  1.0
  Ru  Ru30  1  0.50000000  0.36711504  0.87423807  1.0
  Ru  Ru31  1  0.50000000  0.50783413  0.63395332  1.0
  Ru  Ru32  1  0.50000000  0.63287277  0.50714522  1.0
  Ru  Ru33  1  0.50000000  0.49214951  0.12615421  1.0
  Ru  Ru34  1  0.50000000  0.87422468  0.36560716  1.0
  Ru  Ru35  1  0.00000000  0.00002490  0.00308984  1.0