data_[Tb8Np4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.0096]
_cell_length_b [3.8536]
_cell_length_c [13.0356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb2NpS4]
_chemical_formula_sum '[Tb8 Np4 S16]'
_cell_volume [653.5273]
_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
[
  Tb  Tb0  4  0.1103  0.2500  0.0796  1
  Tb  Tb1  4  0.1484  0.2500  0.7046  1
  Np  Np2  4  0.1256  0.7500  0.4220  1
  S  S3  4  0.0274  0.7500  0.6165  1
  S  S4  4  0.0324  0.2500  0.8810  1
  S  S5  4  0.2122  0.2500  0.2696  1
  S  S6  4  0.2484  0.7500  0.0212  1
]