data_[Li4Np4Sb4S16]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.8556]
_cell_length_b [8.0260]
_cell_length_c [11.2882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiNpSbS4]
_chemical_formula_sum '[Li4 Np4 Sb4 S16]'
_cell_volume [711.7061]
_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  0.3746  1
  Np  Np1  4  0.0000  0.0000  0.0000  1
  Sb  Sb2  4  0.2500  0.2500  0.7500  1
  S  S3  8  0.0000  0.0093  0.7630  1
  S  S4  8  0.2322  0.2500  0.9933  1
]