# generated using pymatgen
data_Tb3Al12NiRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76537675
_cell_length_b   8.76537701
_cell_length_c   9.44313140
_cell_angle_alpha   90.30065327
_cell_angle_beta   89.69934550
_cell_angle_gamma   120.29760390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Al12NiRu3
_chemical_formula_sum   'Tb6 Al24 Ni2 Ru6'
_cell_volume   626.42587869
_cell_formula_units_Z   2
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  0.38568477  0.19551417  0.25042614  1.0
  Tb  Tb1  1  0.80834158  0.19165842  0.24952629  1.0
  Tb  Tb2  1  0.80448583  0.61431523  0.25042614  1.0
  Tb  Tb3  1  0.61431523  0.80448583  0.74957386  1.0
  Tb  Tb4  1  0.19165842  0.80834158  0.75047371  1.0
  Tb  Tb5  1  0.19551417  0.38568477  0.74957386  1.0
  Al  Al6  1  0.43871636  0.87899705  0.25394417  1.0
  Al  Al7  1  0.12100295  0.56128364  0.25394417  1.0
  Al  Al8  1  0.43741940  0.56258060  0.25205966  1.0
  Al  Al9  1  0.56128364  0.12100295  0.74605583  1.0
  Al  Al10  1  0.87899705  0.43871636  0.74605583  1.0
  Al  Al11  1  0.56258060  0.43741940  0.74794034  1.0
  Al  Al12  1  0.16292161  0.83707839  0.42380992  1.0
  Al  Al13  1  0.16369185  0.32729740  0.42335072  1.0
  Al  Al14  1  0.67270260  0.83630815  0.42335072  1.0
  Al  Al15  1  0.83707839  0.16292161  0.57619008  1.0
  Al  Al16  1  0.83630815  0.67270260  0.57664928  1.0
  Al  Al17  1  0.32729740  0.16369185  0.57664928  1.0
  Al  Al18  1  0.83718327  0.16281673  0.92223510  1.0
  Al  Al19  1  0.83748185  0.67341583  0.92279040  1.0
  Al  Al20  1  0.32658417  0.16251815  0.92279040  1.0
  Al  Al21  1  0.16281673  0.83718327  0.07776490  1.0
  Al  Al22  1  0.16251815  0.32658417  0.07720960  1.0
  Al  Al23  1  0.67341583  0.83748185  0.07720960  1.0
  Al  Al24  1  0.33238126  0.66761874  0.51543951  1.0
  Al  Al25  1  0.66761874  0.33238126  0.48456049  1.0
  Al  Al26  1  0.66673265  0.33326735  0.01416847  1.0
  Al  Al27  1  0.33326735  0.66673265  0.98583153  1.0
  Al  Al28  1  0.99927281  0.00072719  0.24977983  1.0
  Al  Al29  1  0.00072719  0.99927281  0.75022017  1.0
  Ni  Ni30  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni31  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru32  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru33  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru34  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru35  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru36  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru37  1  0.50000000  0.50000000  0.00000000  1.0