data_Hf4Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   150.68
_cell_angle_beta   150.68
_cell_angle_gamma   41.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Mn
_chemical_formula_sum   'Hf4 Mn1'
_cell_volume   108.37
_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  0.94  0.0  0.59  1.0
  Hf  Hf1  1  0.0  0.0  0.87  1.0
  Hf  Hf2  1  0.0  0.0  0.47  1.0
  Hf  Hf3  1  0.0  0.94  0.59  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0

data_Hf4Mn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   110.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf4Mn
_chemical_formula_sum   'Hf8 Mn2'
_cell_volume   216.74
_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  4  0.47  0.47  0.36  1.0
  Hf  Hf1  2  0.0  0.0  0.13  1.0
  Hf  Hf2  2  0.0  0.0  0.53  1.0
  Mn  Mn3  2  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Mn