data_[Hf6Ga8Fe4]
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 [C2/m]
_cell_length_a [9.9670]
_cell_length_b [4.1321]
_cell_length_c [7.8336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(Ga2Fe)2]
_chemical_formula_sum '[Hf6 Ga8 Fe4]'
_cell_volume [297.1573]
_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  0.1487  0.5000  0.6762  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0726  0.0000  0.3895  1.0
  Ga  Ga3  4  0.2116  0.5000  0.0669  1.0
  Fe  Fe4  4  0.1779  0.5000  0.3534  1.0
]