data_CoB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   2.5
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   95.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2Cl
_chemical_formula_sum   'Co1 B2 Cl1'
_cell_volume   57.91
_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
  Co  Co3  1  0.75  0.0  0.44  1.0
  B  B0  1  0.96  0.25  0.4  1.0
  B  B1  1  0.29  0.25  0.49  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_CoB2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.75
_cell_length_c   4.91
_cell_angle_alpha   95.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2Cl
_chemical_formula_sum   'Co1 B2 Cl1'
_cell_volume   57.91
_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
  Co  Co0  1  0.0  0.25  0.56  1.0
  B  B1  1  0.75  0.04  0.6  1.0
  B  B2  1  0.75  0.71  0.51  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Co B B Cl