data_ScAlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   142.77
_cell_angle_beta   127.98
_cell_angle_gamma   65.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlAg2
_chemical_formula_sum   'Sc1 Al1 Ag2'
_cell_volume   74.35
_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  0.37  0.19  1.0
  Al  Al2  1  0.0  0.0  0.39  1.0
  Ag  Ag0  1  0.0  0.0  0.07  1.0
  Ag  Ag1  1  0.73  0.0  0.42  1.0

data_ScAlAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.74
_cell_length_c   5.41
_cell_angle_alpha   116.01
_cell_angle_beta   108.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlAg2
_chemical_formula_sum   'Sc1 Al1 Ag2'
_cell_volume   74.35
_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  0.63  0.82  0.82  1.0
  Al  Al1  1  0.0  0.39  0.39  1.0
  Ag  Ag2  1  0.0  0.07  0.07  1.0
  Ag  Ag3  1  0.0  0.42  0.7  1.0

Sc Al Ag Ag
Sc Al Ag Ag 0 2 o o o 1 3 - o o 1 2 o o o 