data_[Na4Fe4Cu4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7118]
_cell_length_b [11.6010]
_cell_length_c [8.9769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaFeCuBr5]
_chemical_formula_sum '[Na4 Fe4 Cu4 Br20]'
_cell_volume [950.1844]
_cell_formula_units_Z [4]
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  0.0000  0.3360  0.2500  1.0
  Fe  Fe1  4  0.0000  0.3328  0.7500  1.0
  Cu  Cu2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1207  0.2119  0.6198  1.0
  Br  Br4  8  0.1713  0.4516  0.9396  1.0
  Br  Br5  4  0.0000  0.0783  0.2500  1.0
]