data_[Li6Mg2Np4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5057]
_cell_length_b [3.8767]
_cell_length_c [7.5643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mg(NpS3)2]
_chemical_formula_sum '[Li6 Mg2 Np4 S12]'
_cell_volume [472.7451]
_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
[
  Li  Li0  4  0.1618  0.0000  0.8310  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  Np  Np3  4  0.1623  0.0000  0.3214  1
  S  S4  4  0.0019  0.0000  0.7588  1
  S  S5  4  0.1657  0.5000  0.0756  1
  S  S6  4  0.1681  0.5000  0.5780  1
]