data_[Hf8Ti8Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.9463]
_cell_length_b [5.4258]
_cell_length_c [9.0640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfTiMo]
_chemical_formula_sum '[Hf8 Ti8 Mo8]'
_cell_volume [439.9713]
_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  0.1800  0.0000  0.3320  1.0
  Hf  Hf1  4  0.3049  0.0000  0.6673  1.0
  Ti  Ti2  4  0.2509  0.0000  0.0023  1.0
  Ti  Ti3  4  0.5000  0.2438  0.4131  1.0
  Mo  Mo4  4  0.0000  0.2439  0.5853  1.0
  Mo  Mo5  2  0.0000  0.0000  0.8322  1.0
  Mo  Mo6  2  0.5000  0.0000  0.1677  1.0
]