data_[Hf12Al2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5868]
_cell_length_b [4.9431]
_cell_length_c [6.6382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf6AlMo]
_chemical_formula_sum '[Hf12 Al2 Mo2]'
_cell_volume [329.9332]
_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  4  0.0007  0.5000  0.7588  1.0
  Hf  Hf1  4  0.2291  0.0000  0.8757  1.0
  Hf  Hf2  4  0.2294  0.0000  0.3550  1.0
  Al  Al3  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo4  2  0.0000  0.0000  0.0000  1.0
]