data_Cr2AgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.12
_cell_angle_alpha   104.46
_cell_angle_beta   104.46
_cell_angle_gamma   42.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AgCl
_chemical_formula_sum   'Cr2 Ag1 Cl1'
_cell_volume   77.39
_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  0.93  0.0  0.39  1.0
  Cr  Cr3  1  0.6  0.0  0.5  1.0
  Ag  Ag0  1  0.26  0.0  0.95  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   3.22
_cell_length_b   4.39
_cell_length_c   6.12
_cell_angle_alpha   104.46
_cell_angle_beta   90.0
_cell_angle_gamma   111.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AgCl
_chemical_formula_sum   'Cr2 Ag1 Cl1'
_cell_volume   77.39
_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  0.0  0.07  0.61  1.0
  Cr  Cr1  1  0.0  0.4  0.5  1.0
  Ag  Ag2  1  0.0  0.74  0.05  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 2 3 o o + 