data_[Ac2Np2Ni2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [P2_1/m]
_cell_length_a [6.4732]
_cell_length_b [5.8809]
_cell_length_c [8.1382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcNpNiS4]
_chemical_formula_sum '[Ac2 Np2 Ni2 S8]'
_cell_volume [295.8010]
_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
[
  Ac  Ac0  2  0.2613  0.2500  0.0655  1
  Np  Np1  2  0.2453  0.2500  0.5568  1
  Ni  Ni2  2  0.2319  0.7500  0.3234  1
  S  S3  4  0.0186  0.5115  0.7335  1
  S  S4  2  0.4266  0.7500  0.1342  1
  S  S5  2  0.4279  0.7500  0.5925  1
]