data_[Mg2Nb1Al1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.1292]
_cell_length_b [5.1292]
_cell_length_c [4.7307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Mg2NbAlO6]
_chemical_formula_sum '[Mg2 Nb1 Al1 O6]'
_cell_volume [124.4570]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  2  0.0000  0.5000  0.9573  1
  Nb  Nb1  1  0.5000  0.5000  0.5863  1
  Al  Al2  1  0.0000  0.0000  0.5938  1
  O  O3  4  0.2451  0.2451  0.7322  1
  O  O4  1  0.0000  0.0000  0.2241  1
  O  O5  1  0.5000  0.5000  0.1990  1
]