data_[Tb8Np4S20]
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 [11.7709]
_cell_length_b [7.8823]
_cell_length_c [7.3964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb2NpS5]
_chemical_formula_sum '[Tb8 Np4 S20]'
_cell_volume [686.2575]
_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  8  0.1784  0.0011  0.4830  1
  Np  Np1  4  0.0069  0.7500  0.9316  1
  S  S2  8  0.0998  0.0424  0.8390  1
  S  S3  4  0.0003  0.2500  0.4572  1
  S  S4  4  0.1860  0.7500  0.1744  1
  S  S5  4  0.2159  0.2500  0.2010  1
]