data_[Ga6Fe14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.2099]
_cell_length_b [3.7030]
_cell_length_c [5.1897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga3Fe7]
_chemical_formula_sum '[Ga6 Fe14]'
_cell_volume [247.6308]
_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
[
  Ga  Ga0  4  0.1971  0.0000  0.6221  1.0
  Ga  Ga1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0990  0.5000  0.8136  1.0
  Fe  Fe3  4  0.0996  0.5000  0.3171  1.0
  Fe  Fe4  4  0.1986  0.0000  0.1102  1.0
  Fe  Fe5  2  0.0000  0.0000  0.5000  1.0
]