data_[Na2Tl2Fe2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9004]
_cell_length_b [5.8678]
_cell_length_c [7.4951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlFeF4]
_chemical_formula_sum '[Na2 Tl2 Fe2 F8]'
_cell_volume [254.3372]
_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
[
  Na  Na0  2  0.3178  0.7500  0.5311  1.0
  Tl  Tl1  2  0.3709  0.2500  0.8642  1.0
  Fe  Fe2  2  0.1374  0.2500  0.3011  1.0
  F  F3  4  0.3764  0.0086  0.3075  1.0
  F  F4  2  0.0831  0.2500  0.5609  1.0
  F  F5  2  0.1855  0.7500  0.8146  1.0
]