data_[Gd3Ga3Fe3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3013]
_cell_length_b [4.3013]
_cell_length_c [10.9860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [GdGaFe]
_chemical_formula_sum '[Gd3 Ga3 Fe3]'
_cell_volume [176.0225]
_cell_formula_units_Z [3]
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
[
  Gd  Gd0  2  0.6667  0.3333  0.8341  1
  Gd  Gd1  1  0.6667  0.3333  0.5000  1
  Ga  Ga2  2  0.0000  0.0000  0.3299  1
  Ga  Ga3  1  0.3333  0.6667  0.0000  1
  Fe  Fe4  2  0.3333  0.6667  0.6639  1
  Fe  Fe5  1  0.0000  0.0000  0.0000  1
]