# generated using pymatgen
data_Ti4Mo5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43604998
_cell_length_b   8.20716727
_cell_length_c   4.41480296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.23425651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Mo5Ir
_chemical_formula_sum   'Ti4 Mo5 Ir1'
_cell_volume   154.68489478
_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  0.08608701  0.99456569  0.00000000  1.0
  Ti  Ti1  1  0.28065998  0.60541679  0.00000000  1.0
  Ti  Ti2  1  0.58671137  0.99340578  0.50000100  1.0
  Ti  Ti3  1  0.78000265  0.60658760  0.50000100  1.0
  Mo  Mo4  1  0.47919061  0.20755491  0.00000000  1.0
  Mo  Mo5  1  0.88720799  0.39243967  0.00000000  1.0
  Mo  Mo6  1  0.68348568  0.80002138  0.00000000  1.0
  Mo  Mo7  1  0.97950811  0.20676862  0.50000100  1.0
  Mo  Mo8  1  0.38691828  0.39322838  0.50000100  1.0
  Ir  Ir9  1  0.18340532  0.80001218  0.50000100  1.0