data_ScAgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   145.71
_cell_angle_beta   138.39
_cell_angle_gamma   54.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAgBi
_chemical_formula_sum   'Sc1 Ag1 Bi1'
_cell_volume   70.92
_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  0.5  1.0
  Ag  Ag0  1  0.0  0.0  0.12  1.0
  Bi  Bi1  1  0.0  0.0  0.82  1.0

data_ScAgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.09
_cell_length_c   5.76
_cell_angle_alpha   110.8
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAgBi
_chemical_formula_sum   'Sc1 Ag1 Bi1'
_cell_volume   70.92
_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  0.5  0.5  0.5  1.0
  Ag  Ag1  1  0.88  0.88  0.88  1.0
  Bi  Bi2  1  0.18  0.18  0.18  1.0

Sc Ag Bi