data_Hf2CoSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CoSb
_chemical_formula_sum   'Hf2 Co1 Sb1'
_cell_volume   76.23
_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
  Hf  Hf1  1  0.79  0.79  0.41  1.0
  Hf  Hf2  1  0.79  0.79  0.54  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.97  1.0

data_Hf2CoSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CoSb
_chemical_formula_sum   'Hf4 Co2 Sb2'
_cell_volume   152.47
_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
  Hf  Hf0  2  0.29  0.5  0.41  1.0
  Hf  Hf1  2  0.29  0.5  0.54  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.97  1.0

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