data_[Ho4Np8Ni4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Np  1.3600  1.7500  1.0000
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7313]
_cell_length_b [16.2923]
_cell_length_c [11.6005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoNp2NiS5]
_chemical_formula_sum '[Ho4 Np8 Ni4 S20]'
_cell_volume [705.2161]
_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
[
  Ho  Ho0  4  0.0000  0.1777  0.0273  1
  Np  Np1  4  0.0000  0.1070  0.3501  1
  Np  Np2  4  0.0000  0.1170  0.6959  1
  Ni  Ni3  4  0.0000  0.4481  0.4175  1
  S  S4  4  0.0000  0.0122  0.0134  1
  S  S5  4  0.0000  0.3031  0.6953  1
  S  S6  4  0.0000  0.3167  0.3566  1
  S  S7  4  0.0000  0.3443  0.0210  1
  S  S8  4  0.0000  0.4956  0.7468  1
]