data_Sc2AlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   3.33
_cell_angle_alpha   92.38
_cell_angle_beta   92.38
_cell_angle_gamma   105.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlBi
_chemical_formula_sum   'Sc2 Al1 Bi1'
_cell_volume   90.32
_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  0.49  0.88  0.66  1.0
  Sc  Sc3  1  0.49  0.12  0.66  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.21  0.0  0.0  1.0

data_Sc2AlBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   105.54
_cell_angle_beta   92.38
_cell_angle_gamma   92.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlBi
_chemical_formula_sum   'Sc2 Al1 Bi1'
_cell_volume   90.32
_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  0.66  0.49  0.12  1.0
  Sc  Sc1  1  0.66  0.49  0.88  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  -0.0  0.21  0.0  1.0

Sc Sc Al Bi