data_ScBi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.34
_cell_angle_alpha   106.05
_cell_angle_beta   106.05
_cell_angle_gamma   34.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2Au
_chemical_formula_sum   'Sc1 Bi2 Au1'
_cell_volume   98.64
_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  0.57  0.0  0.72  1.0
  Bi  Bi1  1  0.06  0.0  0.28  1.0
  Bi  Bi2  1  0.56  0.0  0.5  1.0
  Au  Au0  1  0.35  0.0  0.15  1.0

data_ScBi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.34
_cell_length_c   5.87
_cell_angle_alpha   106.05
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2Au
_chemical_formula_sum   'Sc1 Bi2 Au1'
_cell_volume   98.64
_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  0.72  0.57  1.0
  Bi  Bi1  1  0.0  0.28  0.06  1.0
  Bi  Bi2  1  0.0  0.5  0.56  1.0
  Au  Au3  1  0.0  0.15  0.35  1.0

Sc Bi Bi Au