# generated using pymatgen
data_Ti6VRe2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38846479
_cell_length_b   6.19588349
_cell_length_c   13.16304683
_cell_angle_alpha   89.99992361
_cell_angle_beta   90.00005974
_cell_angle_gamma   90.00000490
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6VRe2Ir3
_chemical_formula_sum   'Ti12 V2 Re4 Ir6'
_cell_volume   357.90872624
_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
  Ti  Ti0  1  0.49998336  0.25144065  0.99843430  1.0
  Ti  Ti1  1  0.49998528  0.74858826  0.99843506  1.0
  Ti  Ti2  1  0.99998042  0.24861868  0.16835117  1.0
  Ti  Ti3  1  0.99997996  0.75140385  0.16835175  1.0
  Ti  Ti4  1  0.49999779  0.24769731  0.33513846  1.0
  Ti  Ti5  1  0.49999741  0.75228851  0.33513645  1.0
  Ti  Ti6  1  0.00001454  0.25006804  0.50012107  1.0
  Ti  Ti7  1  0.00001433  0.74989638  0.50012047  1.0
  Ti  Ti8  1  0.50001920  0.24989321  0.66642851  1.0
  Ti  Ti9  1  0.50001882  0.75008839  0.66642854  1.0
  Ti  Ti10  1  0.00000594  0.25232478  0.83151583  1.0
  Ti  Ti11  1  0.00000517  0.74768334  0.83151481  1.0
  V  V12  1  0.99998404  0.00001804  0.00076267  1.0
  V  V13  1  0.49997642  0.50001217  0.16596845  1.0
  Re  Re14  1  0.99999640  0.99998780  0.33400231  1.0
  Re  Re15  1  0.50001577  0.49998828  0.50012055  1.0
  Re  Re16  1  0.00001486  0.99998642  0.66643130  1.0
  Re  Re17  1  0.50000334  0.50001156  0.83266950  1.0
  Ir  Ir18  1  0.99998348  0.50002527  0.00203255  1.0
  Ir  Ir19  1  0.49997945  0.99999499  0.16481103  1.0
  Ir  Ir20  1  0.99999626  0.50000224  0.33130265  1.0
  Ir  Ir21  1  0.50001633  0.99998016  0.50005932  1.0
  Ir  Ir22  1  0.00002035  0.49999668  0.66653053  1.0
  Ir  Ir23  1  0.50000607  0.99999701  0.83532772  1.0