data_FeCo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Cl
_chemical_formula_sum   'Fe1 Co2 Cl1'
_cell_volume   53.16
_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  0.1  1.0
  Co  Co1  1  0.46  0.46  0.76  1.0
  Co  Co2  1  0.46  0.46  0.44  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_FeCo2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeCo2Cl
_chemical_formula_sum   'Fe2 Co4 Cl2'
_cell_volume   106.32
_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  0.1  1.0
  Co  Co1  2  0.46  0.0  0.44  1.0
  Co  Co2  2  0.46  0.0  0.76  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Fe Co Co Cl
Fe Co Co Cl 0 3 o o o 1 3 o o + 1 3 o + + 1 3 + o + 1 3 + + + 1 2 o o o 
FeCo2Cl crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a single-bond geometry to four equivalent Co(2) and one Cl(1) atom. There are a spread of Fe(1)-Co(2) bond distances ranging from 2.85-3.05 Å. The Fe(1)-Cl(1) bond length is 0.61 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one Co(2) and four equivalent Cl(1) atoms. The Co(1)-Co(2) bond length is 2.00 Å. There are a spread of Co(1)-Cl(1) bond distances ranging from 2.43-2.67 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to four equivalent Fe(1), one Co(1), and four equivalent Co(2) atoms. All Co(2)-Co(2) bond lengths are 2.93 Å. Cl(1) is bonded in a single-bond geometry to one Fe(1) and four equivalent Co(1) atoms.