data_FeSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSeCl2
_chemical_formula_sum   'Fe1 Se1 Cl2'
_cell_volume   76.74
_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
  Se  Se3  1  0.44  0.44  0.0  1.0
  Cl  Cl0  1  0.44  0.0  0.61  1.0
  Cl  Cl1  1  0.0  0.44  0.61  1.0

data_FeSeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeSeCl2
_chemical_formula_sum   'Fe2 Se2 Cl4'
_cell_volume   153.48
_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
  Se  Se1  2  0.44  0.0  0.0  1.0
  Cl  Cl2  4  0.22  0.22  0.61  1.0

Fe Se Cl Cl
FeSeCl2 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a 6-coordinate geometry to six equivalent Cl(1) atoms. There are a spread of Fe(1)-Cl(1) bond distances ranging from 2.51-3.00 Å. Se(1) is bonded in a 2-coordinate geometry to two equivalent Cl(1) atoms. Both Se(1)-Cl(1) bond lengths are 2.51 Å. Cl(1) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one Se(1) atom.