data_[Na2U2Cu2Se8]
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 [P2_1/m]
_cell_length_a [7.0549]
_cell_length_b [5.6776]
_cell_length_c [9.1852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaUCuSe4]
_chemical_formula_sum '[Na2 U2 Cu2 Se8]'
_cell_volume [341.0348]
_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  2  0.3053  0.2500  0.0424  1
  U  U1  2  0.2743  0.2500  0.5591  1
  Cu  Cu2  2  0.2420  0.7500  0.3151  1
  Se  Se3  4  0.0419  0.5098  0.7135  1
  Se  Se4  2  0.4226  0.7500  0.1448  1
  Se  Se5  2  0.4374  0.7500  0.5907  1
]