data_Sc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ag
_chemical_formula_sum   'Sc16 Ag8'
_cell_volume   523.43
_cell_formula_units_Z   8
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  Sc8  1  0.6  0.8  0.8  1.0
  Sc  Sc9  1  0.8  0.6  0.8  1.0
  Sc  Sc10  1  0.8  0.8  0.6  1.0
  Sc  Sc11  1  0.6  0.6  0.6  1.0
  Sc  Sc12  1  0.4  0.4  0.75  1.0
  Sc  Sc13  1  0.4  0.75  0.4  1.0
  Sc  Sc14  1  0.75  0.4  0.4  1.0
  Sc  Sc15  1  0.04  0.4  0.4  1.0
  Sc  Sc16  1  0.4  0.04  0.4  1.0
  Sc  Sc17  1  0.4  0.4  0.04  1.0
  Sc  Sc18  1  0.59  0.59  0.24  1.0
  Sc  Sc19  1  0.59  0.24  0.59  1.0
  Sc  Sc20  1  0.24  0.59  0.59  1.0
  Sc  Sc21  1  0.95  0.59  0.59  1.0
  Sc  Sc22  1  0.59  0.95  0.59  1.0
  Sc  Sc23  1  0.59  0.59  0.95  1.0
  Ag  Ag0  1  0.65  0.65  0.65  1.0
  Ag  Ag1  1  0.54  0.54  0.65  1.0
  Ag  Ag2  1  0.54  0.65  0.54  1.0
  Ag  Ag3  1  0.65  0.54  0.54  1.0
  Ag  Ag4  1  0.34  0.34  0.34  1.0
  Ag  Ag5  1  0.45  0.45  0.34  1.0
  Ag  Ag6  1  0.45  0.34  0.45  1.0
  Ag  Ag7  1  0.34  0.45  0.45  1.0

data_Sc2Ag
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   22.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sc2Ag
_chemical_formula_sum   'Sc48 Ag24'
_cell_volume   1570.29
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.1  0.55  0.15  1.0
  Sc  Sc1  9  0.1  0.55  0.95  1.0
  Sc  Sc2  9  0.13  0.07  0.27  1.0
  Sc  Sc3  9  0.22  0.43  0.39  1.0
  Sc  Sc4  9  0.22  0.78  0.19  1.0
  Sc  Sc5  3  0.0  0.0  0.4  1.0
  Ag  Ag6  9  0.04  0.07  0.42  1.0
  Ag  Ag7  9  0.07  0.04  0.58  1.0
  Ag  Ag8  3  0.0  0.0  0.35  1.0
  Ag  Ag9  3  0.0  0.0  0.66  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Ag Ag Ag Ag Ag Ag Ag Ag