data_CoSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb3
_chemical_formula_sum   'Co2 Sb6'
_cell_volume   186.4
_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  Co0  1  0.84  0.22  0.73  1.0
  Co  Co1  1  0.0  0.44  0.91  1.0
  Sb  Sb2  1  0.43  0.3  0.91  1.0
  Sb  Sb3  1  0.25  0.3  0.91  1.0
  Sb  Sb4  1  0.84  0.05  0.91  1.0
  Sb  Sb5  1  0.41  0.35  0.73  1.0
  Sb  Sb6  1  0.59  0.35  0.73  1.0
  Sb  Sb7  1  0.0  0.6  0.73  1.0

data_CoSb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.65
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoSb3
_chemical_formula_sum   'Co2 Sb6'
_cell_volume   186.4
_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  0.41  0.42  0.89  1.0
  Sb  Sb1  2  0.41  0.17  0.03  1.0
  Sb  Sb2  2  0.41  0.58  0.28  1.0
  Sb  Sb3  2  0.41  0.99  0.03  1.0

Co Co Sb Sb Sb Sb Sb Sb
Co Co Sb Sb Sb Sb Sb Sb 0 4 o o o 0 1 + o o 1 7 o o o 2 5 o o o 2 3 o o o 2 6 o o o 3 5 o o o 5 6 o o o 