data_TaCu2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   3.91
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   92.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCu2Mo
_chemical_formula_sum   'Ta1 Cu2 Mo1'
_cell_volume   57.99
_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
  Ta  Ta3  1  0.88  0.0  0.7  1.0
  Cu  Cu0  1  0.21  0.95  0.08  1.0
  Cu  Cu1  1  0.31  0.95  0.32  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_TaCu2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.91
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   92.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCu2Mo
_chemical_formula_sum   'Ta1 Cu2 Mo1'
_cell_volume   57.99
_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
  Ta  Ta0  1  0.88  0.0  0.7  1.0
  Cu  Cu1  1  0.21  0.95  0.08  1.0
  Cu  Cu2  1  0.31  0.95  0.32  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ta Cu Cu Mo
Ta Cu Cu Mo 0 3 + o + 1 3 o + o 1 2 o o o 