# generated using pymatgen
data_Tb4ThIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.00659402
_cell_length_b   10.84762937
_cell_length_c   6.43797942
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4ThIr2Ru
_chemical_formula_sum   'Tb16 Th4 Ir8 Ru4'
_cell_volume   768.66546617
_cell_formula_units_Z   4
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  0.59123815  0.78440044  0.88527508  1.0
  Tb  Tb1  1  0.59123815  0.21559956  0.38527508  1.0
  Tb  Tb2  1  0.40876185  0.78440044  0.38527508  1.0
  Tb  Tb3  1  0.40876185  0.21559956  0.88527508  1.0
  Tb  Tb4  1  0.20327133  0.41446493  0.61265545  1.0
  Tb  Tb5  1  0.20327133  0.58553507  0.11265545  1.0
  Tb  Tb6  1  0.79672867  0.41446493  0.11265545  1.0
  Tb  Tb7  1  0.79672867  0.58553507  0.61265545  1.0
  Tb  Tb8  1  0.91474194  0.70444746  0.10842384  1.0
  Tb  Tb9  1  0.91474194  0.29555254  0.60842384  1.0
  Tb  Tb10  1  0.08525806  0.70444746  0.60842384  1.0
  Tb  Tb11  1  0.08525806  0.29555254  0.10842384  1.0
  Tb  Tb12  1  0.00000000  0.00000000  0.49606843  1.0
  Tb  Tb13  1  0.00000000  0.00000000  0.99606843  1.0
  Tb  Tb14  1  0.50000000  0.50000000  0.02292086  1.0
  Tb  Tb15  1  0.50000000  0.50000000  0.52292086  1.0
  Th  Th16  1  0.29697189  0.09222864  0.38512443  1.0
  Th  Th17  1  0.29697189  0.90777136  0.88512443  1.0
  Th  Th18  1  0.70302811  0.09222864  0.88512443  1.0
  Th  Th19  1  0.70302811  0.90777136  0.38512443  1.0
  Ir  Ir20  1  0.84291533  0.14932230  0.24343954  1.0
  Ir  Ir21  1  0.84291533  0.85067770  0.74343954  1.0
  Ir  Ir22  1  0.15708467  0.14932230  0.74343954  1.0
  Ir  Ir23  1  0.15708467  0.85067770  0.24343954  1.0
  Ir  Ir24  1  0.65261659  0.34589841  0.76070452  1.0
  Ir  Ir25  1  0.65261659  0.65410159  0.26070452  1.0
  Ir  Ir26  1  0.34738341  0.34589841  0.26070452  1.0
  Ir  Ir27  1  0.34738341  0.65410159  0.76070452  1.0
  Ru  Ru28  1  0.50000000  0.00000000  0.12719024  1.0
  Ru  Ru29  1  0.50000000  0.00000000  0.62719024  1.0
  Ru  Ru30  1  0.00000000  0.50000000  0.86257374  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.36257374  1.0