data_Sc2AlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.18
_cell_angle_alpha   111.12
_cell_angle_beta   111.12
_cell_angle_gamma   48.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlBi
_chemical_formula_sum   'Sc2 Al1 Bi1'
_cell_volume   91.84
_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  0.79  0.0  0.65  1.0
  Sc  Sc3  1  0.38  0.0  0.11  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.58  0.0  0.38  1.0

data_Sc2AlBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   5.06
_cell_length_c   5.18
_cell_angle_alpha   111.12
_cell_angle_beta   90.0
_cell_angle_gamma   114.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlBi
_chemical_formula_sum   'Sc2 Al1 Bi1'
_cell_volume   91.84
_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  0.21  0.35  1.0
  Sc  Sc1  1  0.0  0.62  0.89  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.42  0.62  1.0

Sc Sc Al Bi
Sc Sc Al Bi 0 3 o o o 0 2 + o + 1 3 o o o 1 2 o o o 