data_TaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   4.69
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo
_chemical_formula_sum   'Ta4 Mo4'
_cell_volume   138.53
_cell_formula_units_Z   4
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  Ta4  1  0.65  0.17  0.36  1.0
  Ta  Ta5  1  0.14  0.52  0.72  1.0
  Ta  Ta6  1  0.44  0.17  0.58  1.0
  Ta  Ta7  1  0.93  0.52  0.93  1.0
  Mo  Mo0  1  0.61  0.17  0.74  1.0
  Mo  Mo1  1  0.18  0.52  0.39  1.0
  Mo  Mo2  1  0.4  0.17  0.91  1.0
  Mo  Mo3  1  0.97  0.52  0.55  1.0

data_TaMo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.69
_cell_length_b   5.29
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaMo
_chemical_formula_sum   'Ta4 Mo4'
_cell_volume   138.53
_cell_formula_units_Z   4
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  0.17  0.57  0.85  1.0
  Ta  Ta1  2  0.17  0.78  0.64  1.0
  Mo  Mo2  2  0.17  0.24  0.89  1.0
  Mo  Mo3  2  0.17  0.41  0.68  1.0

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