data_ScInBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   146.02
_cell_angle_beta   139.6
_cell_angle_gamma   53.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInBi
_chemical_formula_sum   'Sc1 In1 Bi1'
_cell_volume   77.4
_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  0.0  0.0  0.54  1.0
  In  In1  1  0.0  0.0  0.27  1.0
  Bi  Bi0  1  0.0  0.0  0.57  1.0

data_ScInBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.14
_cell_length_c   5.99
_cell_angle_alpha   110.2
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInBi
_chemical_formula_sum   'Sc1 In1 Bi1'
_cell_volume   77.4
_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  0.54  0.54  1.0
  In  In1  1  0.0  0.27  0.27  1.0
  Bi  Bi2  1  0.0  0.57  0.57  1.0

Sc In Bi