data_TiAlMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.43
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlMo2
_chemical_formula_sum   'Ti1 Al1 Mo2'
_cell_volume   63.3
_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  0.87  0.0  0.61  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.81  0.21  0.33  1.0
  Mo  Mo2  1  0.93  0.21  0.88  1.0

data_TiAlMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.43
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlMo2
_chemical_formula_sum   'Ti1 Al1 Mo2'
_cell_volume   63.3
_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  0.87  0.0  0.61  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.81  0.21  0.33  1.0
  Mo  Mo3  1  0.93  0.21  0.88  1.0

Ti Al Mo Mo