data_[Nd3Al2V1O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3933]
_cell_length_b [5.3933]
_cell_length_c [6.6773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Nd3Al2VO9]
_chemical_formula_sum '[Nd3 Al2 V1 O9]'
_cell_volume [168.2047]
_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
[
  Nd  Nd0  2  0.3333  0.6667  0.3278  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Al  Al2  2  0.3333  0.6667  0.8383  1.0
  V  V3  1  0.0000  0.0000  0.5000  1.0
  O  O4  6  0.1704  0.3409  0.6760  1.0
  O  O5  3  0.0000  0.5000  0.0000  1.0
]