data_[Na4Fe2Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5208]
_cell_length_b [6.8699]
_cell_length_c [11.4727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2FeCuCl6]
_chemical_formula_sum '[Na4 Fe2 Cu2 Cl12]'
_cell_volume [422.7401]
_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  4  0.2226  0.0813  0.2501  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1339  0.1994  0.9450  1.0
  Cl  Cl4  4  0.2454  0.6904  0.9443  1.0
  Cl  Cl5  4  0.3584  0.0271  0.7470  1.0
]