data_CaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   3.7
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAg
_chemical_formula_sum   'Ca2 Ag2'
_cell_volume   102.54
_cell_formula_units_Z   2
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
  Ca  Ca2  1  0.95  0.0  0.3  1.0
  Ca  Ca3  1  0.32  0.0  0.97  1.0
  Ag  Ag0  1  0.95  0.85  0.91  1.0
  Ag  Ag1  1  0.32  0.85  0.36  1.0

data_CaAg
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.26
_cell_length_b   3.7
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CaAg
_chemical_formula_sum   'Ca2 Ag2'
_cell_volume   102.54
_cell_formula_units_Z   2
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
  Ca  Ca0  2  0.18  0.0  0.83  1.0
  Ag  Ag1  2  0.18  0.85  0.22  1.0

Ca Ca Ag Ag