data_Zn2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   2.92
_cell_angle_alpha   104.75
_cell_angle_beta   104.75
_cell_angle_gamma   116.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CdAg
_chemical_formula_sum   'Zn2 Cd1 Ag1'
_cell_volume   70.43
_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
  Zn  Zn2  1  0.77  0.65  0.28  1.0
  Zn  Zn3  1  0.77  0.35  0.28  1.0
  Cd  Cd1  1  0.93  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Zn2CdAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.14
_cell_length_c   5.54
_cell_angle_alpha   117.36
_cell_angle_beta   104.75
_cell_angle_gamma   91.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CdAg
_chemical_formula_sum   'Zn2 Cd1 Ag1'
_cell_volume   70.43
_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
  Zn  Zn0  1  0.63  0.35  0.11  1.0
  Zn  Zn1  1  0.93  0.65  0.42  1.0
  Cd  Cd2  1  0.0  0.0  0.93  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Zn Zn Cd Ag
Zn Zn Cd Ag 0 2 o + + 0 1 o o o 0 3 + + + 2 3 + o o 