data_HfMn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.54
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   93.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Sb
_chemical_formula_sum   'Hf1 Mn2 Sb1'
_cell_volume   68.66
_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  Hf0  1  0.84  0.0  0.95  1.0
  Mn  Mn1  1  0.43  0.77  0.37  1.0
  Mn  Mn2  1  0.55  0.77  0.52  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_HfMn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.54
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   93.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn2Sb
_chemical_formula_sum   'Hf1 Mn2 Sb1'
_cell_volume   68.66
_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  Hf0  1  0.84  0.0  0.95  1.0
  Mn  Mn1  1  0.43  0.77  0.37  1.0
  Mn  Mn2  1  0.55  0.77  0.52  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Hf Mn Mn Sb
Hf Mn Mn Sb 0 3 + o + 1 2 o o o 