data_CoBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBSb2
_chemical_formula_sum   'Co1 B1 Sb2'
_cell_volume   68.38
_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  Co1  1  0.0  0.0  0.63  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.79  0.0  0.5  1.0
  Sb  Sb3  1  0.79  0.0  0.77  1.0

data_CoBSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBSb2
_chemical_formula_sum   'Co1 B1 Sb2'
_cell_volume   68.38
_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  0.0  0.63  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.79  0.0  0.5  1.0
  Sb  Sb3  1  0.79  0.0  0.77  1.0

Co B Sb Sb
Co B Sb Sb 0 2 - o o 0 3 - o o 1 3 - o - 