data_[Np2Ag2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8430]
_cell_length_b [8.3467]
_cell_length_c [6.6095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NpAgS3]
_chemical_formula_sum '[Np2 Ag2 S6]'
_cell_volume [211.0663]
_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
[
  Np  Np0  2  0.2369  0.7500  0.5140  1
  Ag  Ag1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.2880  0.0676  0.6798  1
  S  S3  2  0.2182  0.2500  0.2022  1
]