data_[Hf4Ga3Fe1]
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 [Pmm2]
_cell_length_a [3.4012]
_cell_length_b [4.0993]
_cell_length_c [10.3235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Hf4Ga3Fe]
_chemical_formula_sum '[Hf4 Ga3 Fe1]'
_cell_volume [143.9328]
_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  1  0.0000  0.0000  0.1411  1.0
  Hf  Hf1  1  0.0000  0.5000  0.8588  1.0
  Hf  Hf2  1  0.5000  0.0000  0.6601  1.0
  Hf  Hf3  1  0.5000  0.5000  0.3289  1.0
  Ga  Ga4  1  0.0000  0.0000  0.4215  1.0
  Ga  Ga5  1  0.0000  0.5000  0.5773  1.0
  Ga  Ga6  1  0.5000  0.0000  0.9283  1.0
  Fe  Fe7  1  0.5000  0.5000  0.0842  1.0
]