data_Co3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   130.66
_cell_angle_beta   130.66
_cell_angle_gamma   72.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Sb
_chemical_formula_sum   'Co3 Sb1'
_cell_volume   49.97
_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  0.86  0.0  0.8  1.0
  Co  Co1  1  0.0  0.86  0.8  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.6  1.0

data_Co3Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   126.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co3Sb
_chemical_formula_sum   'Co6 Sb2'
_cell_volume   99.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.13  0.07  0.06  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.4  0.0  0.4  1.0

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