data_ScAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAg
_chemical_formula_sum   'Sc4 Ag4'
_cell_volume   167.34
_cell_formula_units_Z   4
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  Sc4  1  0.45  0.45  0.45  1.0
  Sc  Sc5  1  0.3  0.06  0.21  1.0
  Sc  Sc6  1  0.06  0.21  0.3  1.0
  Sc  Sc7  1  0.21  0.3  0.06  1.0
  Ag  Ag0  1  0.27  0.27  0.27  1.0
  Ag  Ag1  1  0.49  0.24  0.02  1.0
  Ag  Ag2  1  0.24  0.02  0.49  1.0
  Ag  Ag3  1  0.02  0.49  0.24  1.0

data_ScAg
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.79
_cell_length_b   7.79
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   ScAg
_chemical_formula_sum   'Sc12 Ag12'
_cell_volume   502.03
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  0.02  0.13  0.19  1.0
  Sc  Sc1  3  0.0  0.0  0.45  1.0
  Ag  Ag2  9  0.11  0.68  0.92  1.0
  Ag  Ag3  3  0.0  0.0  0.27  1.0

Sc Sc Sc Sc Ag Ag Ag Ag