data_Ta2NbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   145.1
_cell_angle_beta   128.96
_cell_angle_gamma   63.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbMo
_chemical_formula_sum   'Ta2 Nb1 Mo1'
_cell_volume   70.46
_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  Ta2  1  0.0  0.34  0.23  1.0
  Ta  Ta3  1  0.63  0.0  0.39  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.62  1.0

data_Ta2NbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.68
_cell_length_c   5.43
_cell_angle_alpha   115.52
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbMo
_chemical_formula_sum   'Ta2 Nb1 Mo1'
_cell_volume   70.46
_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  0.39  0.76  1.0
  Ta  Ta1  1  0.66  0.89  0.89  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.62  0.62  1.0

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