data_[Na8U4Ni4S20]
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
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9398]
_cell_length_b [17.5869]
_cell_length_c [12.3486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2UNiS5]
_chemical_formula_sum '[Na8 U4 Ni4 S20]'
_cell_volume [855.6190]
_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  0.0689  0.6651  1
  Na  Na1  4  0.0000  0.1105  0.3614  1
  U  U2  4  0.0000  0.2109  0.0316  1
  Ni  Ni3  4  0.0000  0.4094  0.4020  1
  S  S4  4  0.0000  0.0668  0.9740  1
  S  S5  4  0.0000  0.2839  0.3930  1
  S  S6  4  0.0000  0.3098  0.6661  1
  S  S7  4  0.0000  0.3514  0.0360  1
  S  S8  4  0.0000  0.4951  0.7947  1
]