data_[Hf16Mn4Al4]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8641]
_cell_length_b [11.9380]
_cell_length_c [5.4197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4MnAl]
_chemical_formula_sum '[Hf16 Mn4 Al4]'
_cell_volume [479.4665]
_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  8  0.1111  0.1763  0.5592  1
  Hf  Hf1  8  0.2154  0.4194  0.8597  1
  Mn  Mn2  4  0.0000  0.0006  0.7500  1
  Al  Al3  4  0.0000  0.3783  0.2500  1
]