data_[Ce6Al3Ga3Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.9398]
_cell_length_b [4.0229]
_cell_length_c [11.9627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ce2AlGaNi2]
_chemical_formula_sum '[Ce6 Al3 Ga3 Ni6]'
_cell_volume [333.9697]
_cell_formula_units_Z [3]
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  1  0.2883  0.5000  0.7113  1.0
  Ce  Ce1  1  0.2897  0.5000  0.2897  1.0
  Ce  Ce2  1  0.4270  0.5000  0.0000  1.0
  Ce  Ce3  1  0.7870  0.5000  0.2126  1.0
  Ce  Ce4  1  0.7880  0.5000  0.7884  1.0
  Ce  Ce5  1  0.9255  0.5000  0.4996  1.0
  Al  Al6  1  0.1150  0.0000  0.1157  1.0
  Al  Al7  1  0.1153  0.0000  0.8845  1.0
  Al  Al8  1  0.6150  0.0000  0.6146  1.0
  Ga  Ga9  1  0.2657  0.0000  0.5004  1.0
  Ga  Ga10  1  0.6179  0.0000  0.3832  1.0
  Ga  Ga11  1  0.7668  0.0000  0.0002  1.0
  Ni  Ni12  1  0.0008  0.0000  0.3320  1.0
  Ni  Ni13  1  0.0036  0.5000  0.0001  1.0
  Ni  Ni14  1  0.4976  0.0000  0.1662  1.0
  Ni  Ni15  1  0.4977  0.0000  0.8323  1.0
  Ni  Ni16  1  0.5017  0.5000  0.5016  1.0
  Ni  Ni17  1  0.9977  0.0000  0.6676  1.0
]