# generated using pymatgen
data_Ti3MoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39565908
_cell_length_b   4.39565902
_cell_length_c   5.37512981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3MoIr2
_chemical_formula_sum   'Ti3 Mo1 Ir2'
_cell_volume   89.94305126
_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  0.66666700  0.33333300  0.16296556  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.83703444  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.50000000  1.0
  Mo  Mo3  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir4  1  0.66666700  0.33333300  0.66380902  1.0
  Ir  Ir5  1  0.33333300  0.66666700  0.33619098  1.0