data_Hf2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   154.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Mn
_chemical_formula_sum   'Hf4 Mn2'
_cell_volume   107.77
_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
  Hf  Hf0  1  0.61  0.92  0.19  1.0
  Hf  Hf1  1  0.61  0.98  0.57  1.0
  Hf  Hf2  1  0.61  0.02  0.19  1.0
  Hf  Hf3  1  0.61  0.08  0.57  1.0
  Mn  Mn4  1  0.61  0.94  0.19  1.0
  Mn  Mn5  1  0.61  0.06  0.57  1.0

data_Hf2Mn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.22
_cell_length_b   4.76
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   102.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf2Mn
_chemical_formula_sum   'Hf4 Mn2'
_cell_volume   107.77
_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
  Hf  Hf0  2  0.02  0.69  0.02  1.0
  Hf  Hf1  2  0.08  0.31  0.08  1.0
  Mn  Mn2  2  0.06  0.31  0.06  1.0

Hf Hf Hf Hf Mn Mn
Hf Hf Hf Hf Mn Mn 0 4 o o o 1 5 o + o 2 4 o - o 3 5 o o o 