data_[Hf8Mn8Al8]
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 [Amm2]
_cell_length_a [8.3648]
_cell_length_b [5.1228]
_cell_length_c [8.8001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfMnAl]
_chemical_formula_sum '[Hf8 Mn8 Al8]'
_cell_volume [377.0955]
_cell_formula_units_Z [8]
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  0.1754  0.0000  0.3289  1.0
  Hf  Hf1  4  0.3032  0.0000  0.6652  1.0
  Mn  Mn2  4  0.0000  0.2263  0.5927  1.0
  Mn  Mn3  2  0.0000  0.0000  0.8246  1.0
  Mn  Mn4  2  0.5000  0.0000  0.1669  1.0
  Al  Al5  4  0.2359  0.0000  0.0055  1.0
  Al  Al6  4  0.5000  0.2449  0.4122  1.0
]