data_Ta2AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.91
_cell_angle_alpha   97.99
_cell_angle_beta   97.99
_cell_angle_gamma   37.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlSb
_chemical_formula_sum   'Ta2 Al1 Sb1'
_cell_volume   75.48
_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  0.71  1.0
  Ta  Ta3  1  0.96  0.0  0.15  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.39  0.0  0.43  1.0

data_Ta2AlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.91
_cell_length_c   5.02
_cell_angle_alpha   97.99
_cell_angle_beta   108.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlSb
_chemical_formula_sum   'Ta2 Al1 Sb1'
_cell_volume   75.48
_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  0.15  0.96  1.0
  Ta  Ta1  1  0.0  0.71  0.82  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.43  0.39  1.0

Ta Ta Al Sb