data_Ta2SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SbMo
_chemical_formula_sum   'Ta2 Sb1 Mo1'
_cell_volume   73.37
_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  0.44  0.09  0.66  1.0
  Ta  Ta3  1  0.44  0.91  0.66  1.0
  Sb  Sb1  1  0.89  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Ta2SbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   105.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SbMo
_chemical_formula_sum   'Ta2 Sb1 Mo1'
_cell_volume   73.37
_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  0.66  0.44  0.09  1.0
  Ta  Ta1  1  0.66  0.44  0.91  1.0
  Sb  Sb2  1  0.0  0.89  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ta Ta Sb Mo
Ta Ta Sb Mo 0 1 o - o 2 3 + o o 