data_SrScAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   136.46
_cell_angle_beta   136.46
_cell_angle_gamma   63.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScAg2
_chemical_formula_sum   'Sr1 Sc1 Ag2'
_cell_volume   98.9
_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  0.21  0.0  0.54  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.07  1.0
  Ag  Ag1  1  0.0  0.21  0.54  1.0

data_SrScAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.95
_cell_angle_alpha   111.77
_cell_angle_beta   111.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScAg2
_chemical_formula_sum   'Sr1 Sc1 Ag2'
_cell_volume   98.9
_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  Sr0  1  0.46  0.0  0.67  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.67  0.21  0.67  1.0
  Ag  Ag3  1  0.93  0.0  0.93  1.0

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