data_CoB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2Cl
_chemical_formula_sum   'Co1 B2 Cl1'
_cell_volume   63.03
_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  0.53  0.0  0.31  1.0
  B  B0  1  0.0  0.0  0.92  1.0
  B  B1  1  0.53  0.0  0.5  1.0
  Cl  Cl2  1  0.0  0.0  0.9  1.0

data_CoB2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.29
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2Cl
_chemical_formula_sum   'Co1 B2 Cl1'
_cell_volume   63.03
_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  0.53  0.31  1.0
  B  B1  1  0.0  0.0  0.92  1.0
  B  B2  1  0.0  0.53  0.5  1.0
  Cl  Cl3  1  0.0  0.0  0.9  1.0

Co B B Cl
Co B B Cl 0 2 o o o 1 3 o o o 