data_Cr2AgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.43
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   97.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AgCl
_chemical_formula_sum   'Cr2 Ag1 Cl1'
_cell_volume   75.69
_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
  Cr  Cr2  1  0.88  0.72  0.84  1.0
  Cr  Cr3  1  0.55  0.72  0.8  1.0
  Ag  Ag0  1  0.21  0.0  0.32  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Cr2AgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.43
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   97.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AgCl
_chemical_formula_sum   'Cr2 Ag1 Cl1'
_cell_volume   75.69
_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
  Cr  Cr0  1  0.55  0.72  0.8  1.0
  Cr  Cr1  1  0.88  0.72  0.84  1.0
  Ag  Ag2  1  0.21  0.0  0.32  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cr Cr Ag Cl
Cr Cr Ag Cl 0 1 o o o 0 3 + + + 2 3 o o o 