data_FeSbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   11.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbCl2
_chemical_formula_sum   'Fe1 Sb1 Cl2'
_cell_volume   112.87
_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  0.85  1.0
  Cl  Cl0  1  0.61  0.0  0.03  1.0
  Cl  Cl1  1  0.61  0.0  0.67  1.0

data_FeSbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.4
_cell_length_c   11.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbCl2
_chemical_formula_sum   'Fe1 Sb1 Cl2'
_cell_volume   112.87
_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  Fe0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.85  1.0
  Cl  Cl2  1  0.0  0.61  0.03  1.0
  Cl  Cl3  1  0.0  0.61  0.67  1.0

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