data_[Na1U2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  U  1.3800  1.7500  0.9913
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1924]
_cell_length_b [7.3112]
_cell_length_c [7.4942]
_cell_angle_alpha [63.5256]
_cell_angle_beta [63.5145]
_cell_angle_gamma [61.2429]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaU2(CuSe3)2]
_chemical_formula_sum '[Na1 U2 Cu2 Se6]'
_cell_volume [295.4864]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  U  U1  2  0.1710  0.1684  0.4945  1
  Cu  Cu2  2  0.0404  0.8205  0.9356  1
  Se  Se3  2  0.0693  0.4268  0.7382  1
  Se  Se4  2  0.2161  0.9291  0.2581  1
  Se  Se5  2  0.4164  0.7883  0.7421  1
]