data_[Ga4Fe12C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8432]
_cell_length_b [3.9157]
_cell_length_c [6.9231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaFe3C]
_chemical_formula_sum '[Ga4 Fe12 C4]'
_cell_volume [217.4538]
_cell_formula_units_Z [4]
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  0.1168  0.5000  0.4259  1
  Fe  Fe1  4  0.1163  0.0000  0.1995  1
  Fe  Fe2  4  0.1295  0.0000  0.6599  1
  Fe  Fe3  4  0.1419  0.5000  0.9417  1
  C  C4  4  0.1207  0.0000  0.9267  1
]