data_NaScAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.2
_cell_angle_alpha   102.89
_cell_angle_beta   102.89
_cell_angle_gamma   32.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScAg2
_chemical_formula_sum   'Na1 Sc1 Ag2'
_cell_volume   84.67
_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
  Na  Na2  1  0.65  0.0  0.26  1.0
  Sc  Sc3  1  0.91  0.0  0.09  1.0
  Ag  Ag0  1  0.98  0.0  0.87  1.0
  Ag  Ag1  1  0.51  0.0  0.43  1.0

data_NaScAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.2
_cell_length_c   5.58
_cell_angle_alpha   102.89
_cell_angle_beta   106.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScAg2
_chemical_formula_sum   'Na1 Sc1 Ag2'
_cell_volume   84.67
_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
  Na  Na0  1  0.0  0.26  0.65  1.0
  Sc  Sc1  1  0.0  0.09  0.91  1.0
  Ag  Ag2  1  0.0  0.43  0.51  1.0
  Ag  Ag3  1  0.0  0.87  0.98  1.0

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