data_[Ce8Ga36Ni12]
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 [C2/c]
_cell_length_a [13.0048]
_cell_length_b [7.5088]
_cell_length_c [10.5473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2(Ga3Ni)3]
_chemical_formula_sum '[Ce8 Ga36 Ni12]'
_cell_volume [939.0832]
_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
[
  Ce  Ce0  8  0.1672  0.4169  0.2511  1
  Ga  Ga1  8  0.0603  0.4158  0.9302  1
  Ga  Ga2  8  0.1028  0.0843  0.0580  1
  Ga  Ga3  8  0.1047  0.1866  0.7487  1
  Ga  Ga4  8  0.2255  0.0823  0.4286  1
  Ga  Ga5  4  0.0000  0.1264  0.2500  1
  Ni  Ni6  8  0.0842  0.2515  0.5011  1
  Ni  Ni7  4  0.2500  0.2500  0.0000  1
]