data_Zr2CoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   119.27
_cell_angle_beta   119.27
_cell_angle_gamma   91.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoCl
_chemical_formula_sum   'Zr2 Co1 Cl1'
_cell_volume   69.26
_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
  Zr  Zr2  1  0.0  0.32  0.61  1.0
  Zr  Zr3  1  0.32  0.0  0.61  1.0
  Co  Co1  1  0.0  0.0  0.21  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zr2CoCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.42
_cell_length_b   6.57
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   134.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2CoCl
_chemical_formula_sum   'Zr4 Co2 Cl2'
_cell_volume   138.53
_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
  Zr  Zr0  4  0.34  0.34  0.39  1.0
  Co  Co1  2  0.0  0.0  0.79  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Zr Zr Co Cl
Zr Zr Co Cl 0 2 o o o 1 2 o o o 2 3 o o o 
Zr2CoCl crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Cl(1) atoms. The Zr(1)-Co(1) bond length is 1.69 Å. There is one shorter (2.73 Å) and one longer (2.84 Å) Zr(1)-Cl(1) bond length. Co(1) is bonded in a distorted single-bond geometry to two equivalent Zr(1) and one Cl(1) atom. The Co(1)-Cl(1) bond length is 0.97 Å. Cl(1) is bonded in a single-bond geometry to four equivalent Zr(1) and one Co(1) atom.