data_CaCdAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdAg2
_chemical_formula_sum   'Ca1 Cd1 Ag2'
_cell_volume   89.26
_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
  Ca  Ca2  1  0.0  0.0  0.7  1.0
  Cd  Cd3  1  0.45  0.0  0.56  1.0
  Ag  Ag0  1  0.0  0.0  0.14  1.0
  Ag  Ag1  1  0.45  0.0  0.67  1.0

data_CaCdAg2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaCdAg2
_chemical_formula_sum   'Ca1 Cd1 Ag2'
_cell_volume   89.29
_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
  Ca  Ca0  1  0.0  0.0  0.7  1.0
  Cd  Cd1  1  0.45  0.0  0.56  1.0
  Ag  Ag2  1  0.0  0.0  0.14  1.0
  Ag  Ag3  1  0.45  0.0  0.67  1.0

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