data_[Nd4Mg2Al2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [P2_1/c]
_cell_length_a [5.4379]
_cell_length_b [5.5854]
_cell_length_c [9.4597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2MgAlO6]
_chemical_formula_sum '[Nd4 Mg2 Al2 O12]'
_cell_volume [234.7478]
_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
[
  Nd  Nd0  4  0.2630  0.5511  0.7492  1.0
  Mg  Mg1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1772  0.5217  0.2602  1.0
  O  O4  4  0.2618  0.2011  0.0428  1.0
  O  O5  4  0.3474  0.7215  0.0460  1.0
]