data_[Li4Nd8Fe4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4359]
_cell_length_b [13.7477]
_cell_length_c [9.3317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNd2FeO5]
_chemical_formula_sum '[Li4 Nd8 Fe4 O20]'
_cell_volume [440.7902]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.2249  0.0022  1
  Nd  Nd1  4  0.0000  0.1212  0.3051  1
  Nd  Nd2  4  0.0000  0.1278  0.6838  1
  Fe  Fe3  4  0.0000  0.4202  0.4838  1
  O  O4  4  0.0000  0.0358  0.0510  1
  O  O5  4  0.0000  0.3039  0.3545  1
  O  O6  4  0.0000  0.3117  0.6475  1
  O  O7  4  0.0000  0.3585  0.0035  1
  O  O8  4  0.0000  0.4888  0.2926  1
]