data_TaCu2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCu2Mo
_chemical_formula_sum   'Ta1 Cu2 Mo1'
_cell_volume   58.6
_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  0.72  0.0  0.93  1.0
  Cu  Cu0  1  0.0  0.0  0.05  1.0
  Cu  Cu1  1  0.72  0.0  0.26  1.0
  Mo  Mo2  1  0.0  0.0  0.25  1.0

data_TaCu2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCu2Mo
_chemical_formula_sum   'Ta1 Cu2 Mo1'
_cell_volume   58.6
_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  0.72  0.0  0.93  1.0
  Cu  Cu1  1  0.0  0.0  0.05  1.0
  Cu  Cu2  1  0.72  0.0  0.26  1.0
  Mo  Mo3  1  0.0  0.0  0.25  1.0

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