data_[Nd4Tl2Fe2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6219]
_cell_length_b [5.9521]
_cell_length_c [9.9242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2TlFeO6]
_chemical_formula_sum '[Nd4 Tl2 Fe2 O12]'
_cell_volume [274.1047]
_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  0.2692  0.5646  0.7484  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1419  0.5526  0.2664  1.0
  O  O4  4  0.2676  0.1811  0.0596  1.0
  O  O5  4  0.3923  0.7101  0.0703  1.0
]