# generated using pymatgen
data_Tb3ThAlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.61864296
_cell_length_b   9.61864313
_cell_length_c   9.61864205
_cell_angle_alpha   59.99999689
_cell_angle_beta   59.99999633
_cell_angle_gamma   59.99999812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3ThAlRu
_chemical_formula_sum   'Tb12 Th4 Al4 Ru4'
_cell_volume   629.25453296
_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  0.05795029  0.44204971  0.44204971  1.0
  Tb  Tb1  1  0.44204971  0.05795029  0.05795029  1.0
  Tb  Tb2  1  0.44204971  0.05795029  0.44204971  1.0
  Tb  Tb3  1  0.05795029  0.44204971  0.05795029  1.0
  Tb  Tb4  1  0.44204971  0.44204971  0.05795029  1.0
  Tb  Tb5  1  0.05795029  0.05795029  0.44204971  1.0
  Tb  Tb6  1  0.18742003  0.81257997  0.81257997  1.0
  Tb  Tb7  1  0.81257997  0.18742003  0.18742003  1.0
  Tb  Tb8  1  0.81257997  0.18742003  0.81257997  1.0
  Tb  Tb9  1  0.18742003  0.81257997  0.18742003  1.0
  Tb  Tb10  1  0.81257997  0.81257997  0.18742003  1.0
  Tb  Tb11  1  0.18742003  0.18742003  0.81257997  1.0
  Th  Th12  1  0.59920930  0.59920930  0.59920930  1.0
  Th  Th13  1  0.59920930  0.59920930  0.20237310  1.0
  Th  Th14  1  0.59920930  0.20237310  0.59920930  1.0
  Th  Th15  1  0.20237310  0.59920930  0.59920930  1.0
  Al  Al16  1  0.82778184  0.82778184  0.82778184  1.0
  Al  Al17  1  0.82778184  0.82778184  0.51665448  1.0
  Al  Al18  1  0.82778184  0.51665448  0.82778184  1.0
  Al  Al19  1  0.51665448  0.82778184  0.82778184  1.0
  Ru  Ru20  1  0.39348160  0.39348160  0.39348160  1.0
  Ru  Ru21  1  0.39348160  0.39348160  0.81955420  1.0
  Ru  Ru22  1  0.39348160  0.81955420  0.39348160  1.0
  Ru  Ru23  1  0.81955420  0.39348160  0.39348160  1.0