data_Ta2AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.01
_cell_angle_alpha   99.98
_cell_angle_beta   99.98
_cell_angle_gamma   34.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlSb
_chemical_formula_sum   'Ta2 Al1 Sb1'
_cell_volume   74.39
_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  0.02  0.0  0.82  1.0
  Ta  Ta3  1  0.26  0.0  0.38  1.0
  Al  Al0  1  0.54  0.0  0.32  1.0
  Sb  Sb1  1  0.76  0.0  0.8  1.0

data_Ta2AlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.01
_cell_length_c   5.2
_cell_angle_alpha   99.98
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlSb
_chemical_formula_sum   'Ta2 Al1 Sb1'
_cell_volume   74.39
_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  0.0  0.38  0.26  1.0
  Ta  Ta1  1  0.0  0.82  0.02  1.0
  Al  Al2  1  0.0  0.32  0.54  1.0
  Sb  Sb3  1  0.0  0.8  0.76  1.0

Ta Ta Al Sb
Ta Ta Al Sb 0 3 - o o 1 2 o o o 