data_[Ce12Ga2Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [9.6994]
_cell_length_b [4.9990]
_cell_length_c [8.5434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6GaFe2]
_chemical_formula_sum '[Ce12 Ga2 Fe4]'
_cell_volume [410.7007]
_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
[
  Ce  Ce0  4  0.0509  0.0000  0.8599  1
  Ce  Ce1  4  0.1118  0.5000  0.1644  1
  Ce  Ce2  4  0.1929  0.5000  0.6156  1
  Ga  Ga3  2  0.0000  0.0000  0.5000  1
  Fe  Fe4  4  0.2277  0.5000  0.8704  1
]