data_ScTaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   4.66
_cell_angle_alpha   114.26
_cell_angle_beta   114.26
_cell_angle_gamma   33.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaAl2
_chemical_formula_sum   'Sc1 Ta1 Al2'
_cell_volume   71.42
_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
  Sc  Sc2  1  0.34  0.0  0.07  1.0
  Ta  Ta3  1  0.35  0.0  0.06  1.0
  Al  Al0  1  0.56  0.0  0.12  1.0
  Al  Al1  1  0.24  0.0  0.27  1.0

data_ScTaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.66
_cell_length_c   5.53
_cell_angle_alpha   114.26
_cell_angle_beta   106.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaAl2
_chemical_formula_sum   'Sc1 Ta1 Al2'
_cell_volume   71.42
_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
  Sc  Sc0  1  0.0  0.07  0.34  1.0
  Ta  Ta1  1  0.0  0.06  0.35  1.0
  Al  Al2  1  0.0  0.12  0.56  1.0
  Al  Al3  1  0.0  0.27  0.24  1.0

Sc Ta Al Al
Sc Ta Al Al 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 