data_ZrAgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgCl
_chemical_formula_sum   'Zr1 Ag1 Cl1'
_cell_volume   67.45
_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  Zr2  1  0.0  0.88  0.73  1.0
  Ag  Ag0  1  0.63  0.94  0.04  1.0
  Cl  Cl1  1  0.0  0.0  0.89  1.0

data_ZrAgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgCl
_chemical_formula_sum   'Zr1 Ag1 Cl1'
_cell_volume   67.45
_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  0.88  0.73  1.0
  Ag  Ag1  1  0.63  0.94  0.04  1.0
  Cl  Cl2  1  0.0  0.0  0.89  1.0

Zr Ag Cl
Zr Ag Cl 0 2 o + o 1 2 + + - 