data_Co3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Sb
_chemical_formula_sum   'Co6 Sb2'
_cell_volume   100.59
_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  0.0  0.46  0.13  1.0
  Co  Co1  1  0.63  0.84  0.13  1.0
  Co  Co2  1  0.37  0.84  0.13  1.0
  Co  Co3  1  0.27  0.73  0.04  1.0
  Co  Co4  1  0.01  0.73  0.04  1.0
  Co  Co5  1  0.64  0.11  0.04  1.0
  Sb  Sb6  1  0.64  0.52  0.13  1.0
  Sb  Sb7  1  0.0  0.05  0.04  1.0

data_Co3Sb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.17
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Co3Sb
_chemical_formula_sum   'Co6 Sb2'
_cell_volume   100.59
_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  0.04  0.05  0.55  1.0
  Co  Co1  2  0.04  0.31  0.55  1.0
  Co  Co2  2  0.04  0.68  0.18  1.0
  Sb  Sb3  2  0.04  0.32  0.24  1.0

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