data_[Hf4Ga5Fe2]
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 [P2/m]
_cell_length_a [6.8831]
_cell_length_b [3.1687]
_cell_length_c [8.7263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Hf4Ga5Fe2]
_chemical_formula_sum '[Hf4 Ga5 Fe2]'
_cell_volume [189.9365]
_cell_formula_units_Z [1]
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  2  0.1761  0.5000  0.8597  1.0
  Hf  Hf1  2  0.2253  0.5000  0.4420  1.0
  Ga  Ga2  2  0.1721  0.0000  0.1496  1.0
  Ga  Ga3  2  0.4484  0.0000  0.6813  1.0
  Ga  Ga4  1  0.5000  0.0000  0.0000  1.0
  Fe  Fe5  2  0.0717  0.0000  0.6429  1.0
]