data_CoAgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   4.84
_cell_angle_alpha   93.82
_cell_angle_beta   93.82
_cell_angle_gamma   33.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAgCl2
_chemical_formula_sum   'Co1 Ag1 Cl2'
_cell_volume   91.18
_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
  Co  Co3  1  0.43  0.0  0.86  1.0
  Ag  Ag0  1  0.63  0.0  0.84  1.0
  Cl  Cl1  1  0.77  0.0  0.06  1.0
  Cl  Cl2  1  0.89  0.0  0.49  1.0

data_CoAgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.84
_cell_length_c   5.89
_cell_angle_alpha   93.82
_cell_angle_beta   106.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAgCl2
_chemical_formula_sum   'Co1 Ag1 Cl2'
_cell_volume   91.18
_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
  Co  Co0  1  0.0  0.86  0.43  1.0
  Ag  Ag1  1  0.0  0.84  0.63  1.0
  Cl  Cl2  1  0.0  0.06  0.77  1.0
  Cl  Cl3  1  0.0  0.49  0.89  1.0

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