data_[La6Nd2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.3033]
_cell_length_b [7.2067]
_cell_length_c [6.2979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [La3NdO4]
_chemical_formula_sum '[La6 Nd2 O8]'
_cell_volume [269.9875]
_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  0.0000  0.3749  0.7500  1
  La  La1  2  0.5000  0.1248  0.7500  1
  La  La2  2  0.5000  0.3749  0.2500  1
  Nd  Nd3  2  0.0000  0.1249  0.2500  1
  O  O4  4  0.2436  0.1219  0.9991  1
  O  O5  4  0.2456  0.3718  0.4972  1
]