data_ScAg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   129.77
_cell_angle_beta   129.77
_cell_angle_gamma   73.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg2Au
_chemical_formula_sum   'Sc1 Ag2 Au1'
_cell_volume   74.14
_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  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.14  0.0  0.02  1.0
  Ag  Ag1  1  0.0  0.0  0.04  1.0
  Au  Au2  1  0.0  0.14  0.02  1.0

data_ScAg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.05
_cell_angle_alpha   115.11
_cell_angle_beta   115.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg2Au
_chemical_formula_sum   'Sc1 Ag2 Au1'
_cell_volume   74.14
_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  0.0  0.0  1.0
  Ag  Ag1  1  0.02  0.88  0.88  1.0
  Ag  Ag2  1  0.04  0.04  0.04  1.0
  Au  Au3  1  0.88  0.02  0.88  1.0

Sc Ag Ag Au