data_HfMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMn
_chemical_formula_sum   'Hf2 Mn2'
_cell_volume   70.05
_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  0.45  0.5  0.1  1.0
  Hf  Hf1  1  0.45  0.5  0.31  1.0
  Mn  Mn2  1  0.45  0.14  0.1  1.0
  Mn  Mn3  1  0.45  0.86  0.31  1.0

data_HfMn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.9
_cell_length_b   4.41
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfMn
_chemical_formula_sum   'Hf2 Mn2'
_cell_volume   70.05
_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  0.5  0.6  1.0  1.0
  Mn  Mn1  2  0.14  0.6  0.64  1.0

Hf Hf Mn Mn