data_Hf2MnNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnNb
_chemical_formula_sum   'Hf2 Mn1 Nb1'
_cell_volume   73.07
_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  0.0  0.0  0.11  1.0
  Hf  Hf1  1  0.68  0.0  0.28  1.0
  Mn  Mn2  1  0.0  0.0  0.34  1.0
  Nb  Nb3  1  0.68  0.0  0.55  1.0

data_Hf2MnNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MnNb
_chemical_formula_sum   'Hf2 Mn1 Nb1'
_cell_volume   73.07
_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  0.0  0.0  0.11  1.0
  Hf  Hf1  1  0.68  0.0  0.28  1.0
  Mn  Mn2  1  0.0  0.0  0.34  1.0
  Nb  Nb3  1  0.68  0.0  0.55  1.0

Hf Hf Mn Nb
Hf Hf Mn Nb 0 1 - o o 0 2 o o o 1 2 + o o 1 3 o o o 2 3 - o o 