data_[Li2Mg1Np1S4]
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 [P2/m]
_cell_length_a [6.4889]
_cell_length_b [3.8436]
_cell_length_c [6.5036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2MgNpS4]
_chemical_formula_sum '[Li2 Mg1 Np1 S4]'
_cell_volume [153.1296]
_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  1  0.0000  0.5000  0.5000  1
  Li  Li1  1  0.5000  0.0000  0.5000  1
  Mg  Mg2  1  0.0000  0.0000  0.0000  1
  Np  Np3  1  0.5000  0.5000  0.0000  1
  S  S4  2  0.2428  0.5000  0.2405  1
  S  S5  2  0.2485  0.0000  0.7492  1
]