data_[Sr6Nd2Fe4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Amm2]
_cell_length_a [5.4932]
_cell_length_b [5.4788]
_cell_length_c [12.7018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sr3Nd(FeO4)2]
_chemical_formula_sum '[Sr6 Nd2 Fe4 O16]'
_cell_volume [382.2714]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.3545  1.0
  Sr  Sr1  2  0.0000  0.0000  0.6443  1.0
  Sr  Sr2  2  0.5000  0.0000  0.1454  1.0
  Nd  Nd3  2  0.5000  0.0000  0.8593  1.0
  Fe  Fe4  2  0.0000  0.0000  0.0028  1.0
  Fe  Fe5  2  0.5000  0.0000  0.4987  1.0
  O  O6  8  0.2579  0.2491  0.9964  1.0
  O  O7  2  0.0000  0.0000  0.1584  1.0
  O  O8  2  0.0000  0.0000  0.8391  1.0
  O  O9  2  0.5000  0.0000  0.3355  1.0
  O  O10  2  0.5000  0.0000  0.6765  1.0
]