data_[Li4Np4Sc4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5218]
_cell_length_b [7.9751]
_cell_length_c [10.8050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiNpScS4]
_chemical_formula_sum '[Li4 Np4 Sc4 S16]'
_cell_volume [648.1620]
_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
[
  Li  Li0  4  0.0000  0.2500  0.6359  1
  Np  Np1  4  0.0000  0.0000  0.0000  1
  Sc  Sc2  4  0.2500  0.2500  0.2500  1
  S  S3  8  0.0000  0.0245  0.2461  1
  S  S4  8  0.2391  0.2500  0.0094  1
]