data_TaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo
_chemical_formula_sum   'Ta4 Mo4'
_cell_volume   135.1
_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  0.84  0.13  0.28  1.0
  Ta  Ta5  1  0.65  0.13  0.0  1.0
  Ta  Ta6  1  0.84  0.87  0.0  1.0
  Ta  Ta7  1  0.65  0.87  0.28  1.0
  Mo  Mo0  1  0.04  0.15  0.28  1.0
  Mo  Mo1  1  0.46  0.15  0.0  1.0
  Mo  Mo2  1  0.46  0.85  0.28  1.0
  Mo  Mo3  1  0.04  0.85  0.0  1.0

data_TaMo
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.6
_cell_length_b   4.56
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   109.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TaMo
_chemical_formula_sum   'Ta4 Mo4'
_cell_volume   135.1
_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  0.41  0.0  0.13  1.0
  Ta  Ta1  2  0.41  0.72  0.87  1.0
  Mo  Mo2  2  0.21  0.72  0.85  1.0
  Mo  Mo3  2  0.21  0.0  0.15  1.0

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