data_TaCu2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   143.85
_cell_angle_beta   126.98
_cell_angle_gamma   65.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCu2Mo
_chemical_formula_sum   'Ta1 Cu2 Mo1'
_cell_volume   58.83
_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  0.56  0.0  0.11  1.0
  Cu  Cu0  1  0.0  0.0  0.32  1.0
  Cu  Cu1  1  0.0  0.24  0.21  1.0
  Mo  Mo2  1  0.0  0.0  0.23  1.0

data_TaCu2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.48
_cell_length_c   5.02
_cell_angle_alpha   116.51
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCu2Mo
_chemical_formula_sum   'Ta1 Cu2 Mo1'
_cell_volume   58.83
_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  0.0  0.11  0.55  1.0
  Cu  Cu1  1  0.0  0.32  0.32  1.0
  Cu  Cu2  1  0.76  0.96  0.96  1.0
  Mo  Mo3  1  0.0  0.23  0.23  1.0

Ta Cu Cu Mo