data_[Na4Sc2U2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7921]
_cell_length_b [7.1577]
_cell_length_c [11.7816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2ScUS6]
_chemical_formula_sum '[Na4 Sc2 U2 S12]'
_cell_volume [473.7376]
_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  4  0.2775  0.0666  0.2539  1
  Sc  Sc1  2  0.5000  0.0000  0.0000  1
  U  U2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1454  0.0258  0.7499  1
  S  S4  4  0.2556  0.7090  0.5534  1
  S  S5  4  0.3455  0.2065  0.5520  1
]