# generated using pymatgen
data_Li5Ti6MnIr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27210338
_cell_length_b   6.00146864
_cell_length_c   12.79803803
_cell_angle_alpha   90.00005891
_cell_angle_beta   89.99949584
_cell_angle_gamma   89.99960667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Ti6MnIr12
_chemical_formula_sum   'Li5 Ti6 Mn1 Ir12'
_cell_volume   328.12754602
_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
  Li  Li0  1  0.49984913  0.00000100  0.16732477  1.0
  Li  Li1  1  0.99980157  0.49999900  0.33354922  1.0
  Li  Li2  1  0.50000100  0.00000000  0.50000000  1.0
  Li  Li3  1  0.00019743  0.50000100  0.66645078  1.0
  Li  Li4  1  0.50014987  0.99999900  0.83267423  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti6  1  0.49988115  0.50000000  0.17024929  1.0
  Ti  Ti7  1  0.99988225  1.00000000  0.33634920  1.0
  Ti  Ti8  1  0.50000100  0.50000000  0.50000000  1.0
  Ti  Ti9  1  0.00011675  0.00000000  0.66365180  1.0
  Ti  Ti10  1  0.50011785  0.50000000  0.82975071  1.0
  Mn  Mn11  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir12  1  0.50000300  0.24778396  1.00000000  1.0
  Ir  Ir13  1  0.49999900  0.75221704  0.00000000  1.0
  Ir  Ir14  1  0.99988367  0.24802297  0.16824703  1.0
  Ir  Ir15  1  0.99988067  0.75197903  0.16824703  1.0
  Ir  Ir16  1  0.49987675  0.24924912  0.33382308  1.0
  Ir  Ir17  1  0.49987475  0.75075188  0.33382408  1.0
  Ir  Ir18  1  1.00000000  0.25161668  0.50000100  1.0
  Ir  Ir19  1  0.00000000  0.74838332  0.49999900  1.0
  Ir  Ir20  1  0.50012525  0.24924812  0.66617692  1.0
  Ir  Ir21  1  0.50012325  0.75075088  0.66617792  1.0
  Ir  Ir22  1  0.00012133  0.24802097  0.83175297  1.0
  Ir  Ir23  1  0.00011833  0.75197703  0.83175297  1.0