data_ScAl2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   3.8
_cell_angle_alpha   107.8
_cell_angle_beta   107.8
_cell_angle_gamma   123.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Sb
_chemical_formula_sum   'Sc1 Al2 Sb1'
_cell_volume   87.61
_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  Sc3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.43  0.64  0.0  1.0
  Al  Al1  1  0.43  0.36  0.0  1.0
  Sb  Sb2  1  0.85  0.0  0.0  1.0

data_ScAl2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.38
_cell_length_c   6.0
_cell_angle_alpha   110.81
_cell_angle_beta   107.8
_cell_angle_gamma   91.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Sb
_chemical_formula_sum   'Sc1 Al2 Sb1'
_cell_volume   87.61
_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  0.0  0.0  1.0
  Al  Al1  1  0.36  0.36  0.79  1.0
  Al  Al2  1  0.64  0.64  0.06  1.0
  Sb  Sb3  1  0.0  0.0  0.85  1.0

Sc Al Al Sb