data_SrScAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScAg2
_chemical_formula_sum   'Sr1 Sc1 Ag2'
_cell_volume   97.42
_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
  Sr  Sr3  1  0.0  0.0  0.82  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.49  0.0  0.11  1.0
  Ag  Ag1  1  0.49  0.0  0.53  1.0

data_SrScAg2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   SrScAg2
_chemical_formula_sum   'Sr1 Sc1 Ag2'
_cell_volume   97.46
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Sr  Sr0  1  0.0  0.0  0.82  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.5  0.0  0.11  1.0
  Ag  Ag3  1  0.5  0.0  0.53  1.0

Sr Sc Ag Ag
Sr Sc Ag Ag 0 1 o o + 0 3 o o o 0 3 - o o 1 2 o o o 1 2 - o o 2 3 o o o 3 3 o + o 3 3 + o o 