data_[Li3Np2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3996]
_cell_length_b [5.5152]
_cell_length_c [7.1402]
_cell_angle_alpha [68.2596]
_cell_angle_beta [68.0430]
_cell_angle_gamma [89.7293]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3(NpS2)2]
_chemical_formula_sum '[Li3 Np2 S4]'
_cell_volume [180.9646]
_cell_formula_units_Z [1]
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  2  0.1958  0.4840  0.6261  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Np  Np2  2  0.3772  0.1364  0.2444  1
  S  S3  2  0.1513  0.8961  0.6975  1
  S  S4  2  0.3951  0.6472  0.2185  1
]