data_TiMo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.36
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   100.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMo2Ir
_chemical_formula_sum   'Ti1 Mo2 Ir1'
_cell_volume   61.92
_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  Ti3  1  0.97  0.0  0.59  1.0
  Mo  Mo1  1  0.66  0.0  0.06  1.0
  Mo  Mo2  1  0.83  0.18  0.28  1.0
  Ir  Ir0  1  0.07  0.18  0.79  1.0

data_TiMo2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.36
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   100.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMo2Ir
_chemical_formula_sum   'Ti1 Mo2 Ir1'
_cell_volume   61.92
_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  0.97  0.0  0.59  1.0
  Mo  Mo1  1  0.66  0.0  0.06  1.0
  Mo  Mo2  1  0.83  0.18  0.28  1.0
  Ir  Ir3  1  0.07  0.18  0.79  1.0

Ti Mo Mo Ir