data_[Hf4Ga8Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1392]
_cell_length_b [4.1376]
_cell_length_c [9.8608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfGa2Fe]
_chemical_formula_sum '[Hf4 Ga8 Fe4]'
_cell_volume [250.4772]
_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  0.2181  0.2500  0.6538  1.0
  Ga  Ga1  4  0.0615  0.7500  0.8342  1.0
  Ga  Ga2  4  0.2418  0.2500  0.9452  1.0
  Fe  Fe3  4  0.0427  0.2500  0.4025  1.0
]