data_[Li4Np4Ag4Se12]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1109]
_cell_length_b [12.9889]
_cell_length_c [10.7583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiNpAgSe3]
_chemical_formula_sum '[Li4 Np4 Ag4 Se12]'
_cell_volume [574.4530]
_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  0.2501  0.7500  1
  Np  Np1  4  0.0000  0.5000  0.0000  1
  Ag  Ag2  4  0.0000  0.0287  0.2500  1
  Se  Se3  8  0.0000  0.1428  0.0552  1
  Se  Se4  4  0.0000  0.4011  0.2500  1
]