# generated using pymatgen
data_Ti12CuTc6Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34923736
_cell_length_b   6.17573958
_cell_length_c   13.02789607
_cell_angle_alpha   90.00000431
_cell_angle_beta   89.99954895
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12CuTc6Ru5
_chemical_formula_sum   'Ti12 Cu1 Tc6 Ru5'
_cell_volume   349.92612692
_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
  Ti  Ti0  1  0.49998916  0.24314368  0.00003639  1.0
  Ti  Ti1  1  0.49998916  0.75685532  0.00003639  1.0
  Ti  Ti2  1  0.00003017  0.24684800  0.16921135  1.0
  Ti  Ti3  1  0.00003017  0.75315200  0.16921135  1.0
  Ti  Ti4  1  0.50002645  0.25009839  0.33347599  1.0
  Ti  Ti5  1  0.50002645  0.74990161  0.33347599  1.0
  Ti  Ti6  1  0.99999594  0.24999895  0.49995554  1.0
  Ti  Ti7  1  0.99999594  0.75000205  0.49995554  1.0
  Ti  Ti8  1  0.49996068  0.25009727  0.66646122  1.0
  Ti  Ti9  1  0.49996068  0.74990273  0.66646222  1.0
  Ti  Ti10  1  0.99994898  0.24684890  0.83080675  1.0
  Ti  Ti11  1  0.99994798  0.75315010  0.83080675  1.0
  Cu  Cu12  1  0.99998976  0.50000000  0.00029100  1.0
  Tc  Tc13  1  0.99998734  1.00000000  0.00006297  1.0
  Tc  Tc14  1  0.50003992  0.50000000  0.16264605  1.0
  Tc  Tc15  1  0.00002638  1.00000000  0.33284632  1.0
  Tc  Tc16  1  0.49999586  0.50000000  0.49993293  1.0
  Tc  Tc17  1  0.99995862  0.00000000  0.66706925  1.0
  Tc  Tc18  1  0.49993519  0.50000000  0.83739471  1.0
  Ru  Ru19  1  0.50002262  1.00000000  0.16609811  1.0
  Ru  Ru20  1  0.00002481  0.50000000  0.33177998  1.0
  Ru  Ru21  1  0.49999576  0.00000000  0.49990968  1.0
  Ru  Ru22  1  0.99996243  0.50000000  0.66810345  1.0
  Ru  Ru23  1  0.49995758  0.00000000  0.83397207  1.0