# generated using pymatgen
data_Ta12TcMo6Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50900001
_cell_length_b   6.37278226
_cell_length_c   13.52790874
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000792
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta12TcMo6Ru5
_chemical_formula_sum   'Ta12 Tc1 Mo6 Ru5'
_cell_volume   388.72276990
_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
  Ta  Ta0  1  0.50000000  0.24840774  0.00000000  1.0
  Ta  Ta1  1  0.50000000  0.75159226  0.00000000  1.0
  Ta  Ta2  1  0.99999136  0.24933177  0.16579486  1.0
  Ta  Ta3  1  0.99999136  0.75066823  0.16579486  1.0
  Ta  Ta4  1  0.49998901  0.25003703  0.33318079  1.0
  Ta  Ta5  1  0.49998901  0.74996297  0.33318079  1.0
  Ta  Ta6  1  0.00000000  0.25001835  0.50000000  1.0
  Ta  Ta7  1  0.00000000  0.74998165  0.50000000  1.0
  Ta  Ta8  1  0.50001099  0.25003703  0.66681921  1.0
  Ta  Ta9  1  0.50001099  0.74996297  0.66681921  1.0
  Ta  Ta10  1  0.00000864  0.24933177  0.83420514  1.0
  Ta  Ta11  1  0.00000864  0.75066823  0.83420514  1.0
  Tc  Tc12  1  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo13  1  0.00000000  0.50000000  0.00000000  1.0
  Mo  Mo14  1  0.49999151  0.00000000  0.16794495  1.0
  Mo  Mo15  1  0.99999022  0.50000000  0.33350244  1.0
  Mo  Mo16  1  0.50000000  0.00000000  0.50000000  1.0
  Mo  Mo17  1  0.00000978  0.50000000  0.66649756  1.0
  Mo  Mo18  1  0.50000849  0.00000000  0.83205505  1.0
  Ru  Ru19  1  0.49999157  0.50000000  0.16720384  1.0
  Ru  Ru20  1  0.99999110  0.00000000  0.33386251  1.0
  Ru  Ru21  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru22  1  0.00000890  0.00000000  0.66613749  1.0
  Ru  Ru23  1  0.50000843  0.50000000  0.83279616  1.0