data_[Hf8Mn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7339]
_cell_length_b [3.2919]
_cell_length_c [7.3369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Mn]
_chemical_formula_sum '[Hf8 Mn4]'
_cell_volume [222.2061]
_cell_formula_units_Z [4]
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  4  0.0905  0.5000  0.8816  1.0
  Hf  Hf1  4  0.1604  0.0000  0.5680  1.0
  Mn  Mn2  4  0.1333  0.0000  0.1879  1.0
]