data_[La2Mg2Al22O38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.6437]
_cell_length_b [5.6437]
_cell_length_c [22.2844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [LaMgAl11O19]
_chemical_formula_sum '[La2 Mg2 Al22 O38]'
_cell_volume [614.7005]
_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
[
  La  La0  2  0.3333  0.6667  0.7511  1
  Mg  Mg1  2  0.3333  0.6667  0.0267  1
  Al  Al2  6  0.1661  0.3322  0.6074  1
  Al  Al3  6  0.1682  0.8318  0.8916  1
  Al  Al4  2  0.0000  0.0000  0.0029  1
  Al  Al5  2  0.0000  0.0000  0.2373  1
  Al  Al6  2  0.3333  0.6667  0.1885  1
  Al  Al7  2  0.3333  0.6667  0.3095  1
  Al  Al8  2  0.3333  0.6667  0.4742  1
  O  O9  6  0.0097  0.5048  0.8475  1
  O  O10  6  0.0152  0.5076  0.6516  1
  O  O11  6  0.1481  0.2961  0.0565  1
  O  O12  6  0.1567  0.3134  0.4489  1
  O  O13  6  0.1808  0.3616  0.2491  1
  O  O14  2  0.0000  0.0000  0.1538  1
  O  O15  2  0.0000  0.0000  0.3541  1
  O  O16  2  0.3333  0.6667  0.5562  1
  O  O17  2  0.3333  0.6667  0.9377  1
]