data_TiCu2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   148.9
_cell_angle_beta   127.34
_cell_angle_gamma   62.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Mo
_chemical_formula_sum   'Ti1 Cu2 Mo1'
_cell_volume   57.28
_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  0.0  0.0  0.74  1.0
  Cu  Cu0  1  0.39  0.0  0.08  1.0
  Cu  Cu1  1  0.0  0.0  0.11  1.0
  Mo  Mo2  1  0.39  0.0  0.43  1.0

data_TiCu2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.62
_cell_length_c   5.2
_cell_angle_alpha   116.33
_cell_angle_beta   105.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Mo
_chemical_formula_sum   'Ti1 Cu2 Mo1'
_cell_volume   57.28
_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  0.26  0.26  0.26  1.0
  Cu  Cu1  1  0.32  0.92  0.32  1.0
  Cu  Cu2  1  0.89  0.89  0.89  1.0
  Mo  Mo3  1  0.97  0.57  0.97  1.0

Ti Cu Cu Mo