data_Ta2SnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   141.57
_cell_angle_beta   128.81
_cell_angle_gamma   65.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnSb
_chemical_formula_sum   'Ta2 Sn1 Sb1'
_cell_volume   81.15
_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  0.82  0.0  0.06  1.0
  Ta  Ta3  1  0.0  0.0  0.29  1.0
  Sn  Sn1  1  0.0  0.0  0.07  1.0
  Sb  Sb0  1  0.82  0.0  0.53  1.0

data_Ta2SnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.79
_cell_length_c   5.54
_cell_angle_alpha   115.59
_cell_angle_beta   109.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnSb
_chemical_formula_sum   'Ta2 Sn1 Sb1'
_cell_volume   81.15
_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  0.71  0.71  0.71  1.0
  Ta  Ta1  1  0.76  0.94  0.76  1.0
  Sn  Sn2  1  0.93  0.93  0.93  1.0
  Sb  Sb3  1  0.29  0.47  0.29  1.0

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