data_TaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.53
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2
_chemical_formula_sum   'Ta2 Mo4'
_cell_volume   99.2
_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  Ta4  1  0.83  0.13  0.13  1.0
  Ta  Ta5  1  0.9  0.4  0.69  1.0
  Mo  Mo0  1  0.78  0.13  1.0  1.0
  Mo  Mo1  1  0.85  0.4  0.29  1.0
  Mo  Mo2  1  0.89  0.13  0.53  1.0
  Mo  Mo3  1  0.95  0.4  0.82  1.0

data_TaMo2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.8
_cell_length_b   4.53
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaMo2
_chemical_formula_sum   'Ta2 Mo4'
_cell_volume   99.2
_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  0.47  0.87  0.72  1.0
  Mo  Mo1  2  0.42  0.87  0.59  1.0
  Mo  Mo2  2  0.48  0.13  0.88  1.0

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