data_[Cu4Se8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5286]
_cell_length_b [5.2372]
_cell_length_c [8.0931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuSe2O5]
_chemical_formula_sum '[Cu4 Se8 O20]'
_cell_volume [496.8422]
_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  0.5000  0.0000  1.0
  Se  Se1  8  0.1377  0.0888  0.3245  1.0
  O  O2  8  0.1240  0.2855  0.1514  1.0
  O  O3  8  0.1240  0.2814  0.4864  1.0
  O  O4  4  0.0000  0.0870  0.7500  1.0
]