data_[Cu4H24Se8Br4N4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9572]
_cell_length_b [11.4723]
_cell_length_c [7.2228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CuH6Se2BrNO6]
_chemical_formula_sum '[Cu4 H24 Se8 Br4 N4 O24]'
_cell_volume [742.2153]
_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
[
  Cu  Cu0  4  0.0000  0.0000  0.5000  1
  H  H1  8  0.0531  0.5750  0.8882  1
  H  H2  8  0.2296  0.1745  0.1191  1
  H  H3  4  0.0713  0.2500  0.0689  1
  H  H4  4  0.1373  0.2500  0.2857  1
  Se  Se5  8  0.1937  0.5761  0.1629  1
  Br  Br6  4  0.0257  0.2500  0.5802  1
  N  N7  4  0.1683  0.2500  0.1470  1
  O  O8  8  0.0475  0.0110  0.2393  1
  O  O9  8  0.1111  0.6367  0.9643  1
  O  O10  8  0.2068  0.5353  0.5580  1
]