data_[Na2Tl2Fe2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8994]
_cell_length_b [7.1386]
_cell_length_c [8.5497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlFeCl4]
_chemical_formula_sum '[Na2 Tl2 Fe2 Cl8]'
_cell_volume [402.6863]
_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  0.2164  0.2500  0.5541  1
  Tl  Tl1  2  0.2499  0.2500  0.0628  1
  Fe  Fe2  2  0.2405  0.7500  0.3256  1
  Cl  Cl3  4  0.0146  0.5036  0.2808  1
  Cl  Cl4  2  0.4353  0.7500  0.1502  1
  Cl  Cl5  2  0.4568  0.7500  0.5839  1
]