data_FeSbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52
_cell_length_b   10.52
_cell_length_c   10.52
_cell_angle_alpha   18.16
_cell_angle_beta   18.16
_cell_angle_gamma   18.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbCl2
_chemical_formula_sum   'Fe1 Sb1 Cl2'
_cell_volume   98.69
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.51  1.0
  Cl  Cl0  1  0.0  0.0  0.08  1.0
  Cl  Cl1  1  0.0  0.0  0.94  1.0

data_FeSbCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.75
_cell_length_b   3.32
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   100.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeSbCl2
_chemical_formula_sum   'Fe2 Sb2 Cl4'
_cell_volume   197.37
_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
  Sb  Sb1  2  0.0  0.0  0.49  1.0
  Cl  Cl2  2  0.0  0.0  0.06  1.0
  Cl  Cl3  2  0.0  0.0  0.92  1.0

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