data_FeAgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgCl2
_chemical_formula_sum   'Fe1 Ag1 Cl2'
_cell_volume   92.44
_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
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.9  1.0
  Cl  Cl1  1  0.67  0.0  0.13  1.0
  Cl  Cl2  1  0.67  0.0  0.67  1.0

data_FeAgCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.28
_cell_length_b   5.74
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeAgCl2
_chemical_formula_sum   'Fe2 Ag2 Cl4'
_cell_volume   184.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.9  1.0
  Cl  Cl2  2  0.17  0.5  0.13  1.0
  Cl  Cl3  2  0.17  0.5  0.67  1.0

Fe Ag Cl Cl
Fe Ag Cl Cl 0 1 o o - 0 2 - o o 0 3 - o - 1 3 o o o 1 3 - o o 3 3 + + o 3 3 o + o 3 3 + o o 