data_Sr2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   4.02
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   92.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdAg
_chemical_formula_sum   'Sr2 Cd1 Ag1'
_cell_volume   127.12
_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  Sr2  1  0.8  0.01  0.02  1.0
  Sr  Sr3  1  0.88  0.01  0.93  1.0
  Cd  Cd1  1  0.85  0.0  0.98  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Sr2CdAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.98
_cell_length_b   4.02
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   92.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2CdAg
_chemical_formula_sum   'Sr2 Cd1 Ag1'
_cell_volume   127.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.8  0.0  0.02  1.0
  Sr  Sr1  1  0.88  0.0  0.93  1.0
  Cd  Cd2  1  0.85  0.0  0.98  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

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