data_ZrCd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.63
_cell_angle_alpha   100.58
_cell_angle_beta   100.58
_cell_angle_gamma   34.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Ag
_chemical_formula_sum   'Zr1 Cd2 Ag1'
_cell_volume   83.99
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.23  0.0  0.45  1.0
  Cd  Cd2  1  0.63  0.0  0.08  1.0
  Ag  Ag0  1  0.43  0.0  0.76  1.0

data_ZrCd2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.2
_cell_length_c   5.63
_cell_angle_alpha   100.58
_cell_angle_beta   90.0
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2Ag
_chemical_formula_sum   'Zr1 Cd2 Ag1'
_cell_volume   83.99
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.37  0.92  1.0
  Cd  Cd2  1  0.0  0.77  0.55  1.0
  Ag  Ag3  1  0.0  0.57  0.24  1.0

Zr Cd Cd Ag
Zr Cd Cd Ag 0 2 - o o 1 3 o o o 2 3 o o - 