data_[Ce6Mg48Al3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.2200]
_cell_length_b [10.2200]
_cell_length_c [15.1297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ce2Mg16Al]
_chemical_formula_sum '[Ce6 Mg48 Al3]'
_cell_volume [1368.5488]
_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  3  0.0000  0.0000  0.3283  1
  Ce  Ce1  3  0.0000  0.0000  0.6767  1
  Mg  Mg2  18  0.0311  0.3645  0.6670  1
  Mg  Mg3  9  0.0030  0.5015  0.5007  1
  Mg  Mg4  9  0.0065  0.5032  0.1537  1
  Mg  Mg5  9  0.1700  0.3401  0.1809  1
  Mg  Mg6  3  0.0000  0.0000  0.0908  1
  Al  Al7  3  0.0000  0.0000  0.8963  1
]