data_Co2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   3.57
_cell_angle_alpha   90.83
_cell_angle_beta   90.83
_cell_angle_gamma   26.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Cl
_chemical_formula_sum   'Co4 Cl2'
_cell_volume   95.38
_cell_formula_units_Z   2
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
  Co  Co2  1  0.61  0.0  0.67  1.0
  Co  Co3  1  0.75  0.0  0.68  1.0
  Co  Co4  1  0.2  0.0  0.89  1.0
  Co  Co5  1  0.34  0.0  0.9  1.0
  Cl  Cl0  1  0.91  0.0  0.69  1.0
  Cl  Cl1  1  0.05  0.0  0.88  1.0

data_Co2Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.56
_cell_length_b   3.57
_cell_length_c   7.71
_cell_angle_alpha   90.83
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Co2Cl
_chemical_formula_sum   'Co4 Cl2'
_cell_volume   95.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Co  Co0  2  0.0  0.38  0.14  1.0
  Co  Co1  2  0.0  0.4  0.28  1.0
  Cl  Cl2  2  0.0  0.4  0.43  1.0

Co Co Co Co Cl Cl