data_[Rb4Np4In4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Np  1.3600  1.7500  1.0000
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.9718]
_cell_length_b [8.3886]
_cell_length_c [12.5021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [RbNpInS4]
_chemical_formula_sum '[Rb4 Np4 In4 S16]'
_cell_volume [836.0437]
_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
[
  Rb  Rb0  4  0.0000  0.2500  0.1389  1
  Np  Np1  4  0.0000  0.0000  0.5000  1
  In  In2  4  0.2500  0.2500  0.7500  1
  S  S3  8  0.0000  0.0461  0.7209  1
  S  S4  8  0.2098  0.2500  0.5180  1
]