data_Ta3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mo
_chemical_formula_sum   'Ta6 Mo2'
_cell_volume   140.37
_cell_formula_units_Z   2
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  0.69  0.85  0.48  1.0
  Ta  Ta3  1  0.28  0.49  0.48  1.0
  Ta  Ta4  1  0.69  0.15  0.16  1.0
  Ta  Ta5  1  0.88  0.85  0.48  1.0
  Ta  Ta6  1  0.28  0.51  0.16  1.0
  Ta  Ta7  1  0.88  0.15  0.16  1.0
  Mo  Mo0  1  0.28  0.82  0.16  1.0
  Mo  Mo1  1  0.28  0.18  0.48  1.0

data_Ta3Mo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.63
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   109.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta3Mo
_chemical_formula_sum   'Ta6 Mo2'
_cell_volume   140.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  -0.0  0.49  1.0
  Ta  Ta1  2  0.16  0.4  0.85  1.0
  Ta  Ta2  2  0.16  0.6  0.85  1.0
  Mo  Mo3  2  0.16  0.0  0.18  1.0

Ta Ta Ta Ta Ta Ta Mo Mo
Ta Ta Ta Ta Ta Ta Mo Mo 0 3 o o o 1 4 o o o 1 7 o o o 2 5 o o o 4 6 o o o 