data_[Ce6Ga12Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8956]
_cell_length_b [3.8956]
_cell_length_c [29.6523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ce3(Ga3Ni)2]
_chemical_formula_sum '[Ce6 Ga12 Ni4]'
_cell_volume [450.0027]
_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  0.0000  0.0000  0.1680  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.0000  0.5000  0.0830  1
  Ga  Ga3  4  0.0000  0.0000  0.2708  1
  Ni  Ni4  4  0.0000  0.0000  0.3550  1
]