data_TaAlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.18
_cell_angle_alpha   96.08
_cell_angle_beta   96.08
_cell_angle_gamma   31.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlIn2
_chemical_formula_sum   'Ta1 Al1 In2'
_cell_volume   80.51
_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  Ta3  1  0.97  0.0  0.57  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.82  0.0  0.32  1.0
  In  In2  1  0.12  0.0  0.83  1.0

data_TaAlIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.18
_cell_length_c   5.46
_cell_angle_alpha   96.08
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlIn2
_chemical_formula_sum   'Ta1 Al1 In2'
_cell_volume   80.51
_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  0.57  0.97  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.32  0.82  1.0
  In  In3  1  0.0  0.83  0.12  1.0

Ta Al In In