data_[Na8U4Cu4S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9272]
_cell_length_b [17.1131]
_cell_length_c [12.9873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2UCuS5]
_chemical_formula_sum '[Na8 U4 Cu4 S20]'
_cell_volume [872.8323]
_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  0.0800  0.6636  1
  Na  Na1  4  0.0000  0.0986  0.3618  1
  U  U2  4  0.0000  0.2165  0.0222  1
  Cu  Cu3  4  0.0000  0.4173  0.4187  1
  S  S4  4  0.0000  0.0675  0.0114  1
  S  S5  4  0.0000  0.2819  0.3897  1
  S  S6  4  0.0000  0.2902  0.6505  1
  S  S7  4  0.0000  0.3601  0.0212  1
  S  S8  4  0.0000  0.4956  0.2848  1
]