data_[Nb2Tl2Fe2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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/m]
_cell_length_a [5.7346]
_cell_length_b [6.0276]
_cell_length_c [8.4065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbTlFeO4]
_chemical_formula_sum '[Nb2 Tl2 Fe2 O8]'
_cell_volume [290.5777]
_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
[
  Nb  Nb0  2  0.3177  0.2500  0.2798  1.0
  Tl  Tl1  2  0.2121  0.7500  0.0214  1.0
  Fe  Fe2  2  0.1125  0.7500  0.5358  1.0
  O  O3  4  0.1670  0.0096  0.3802  1.0
  O  O4  2  0.2424  0.2500  0.0650  1.0
  O  O5  2  0.3531  0.7500  0.7037  1.0
]