data_[Ac4Np4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5805]
_cell_length_b [4.1660]
_cell_length_c [15.7544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AcNpS3]
_chemical_formula_sum '[Ac4 Np4 S12]'
_cell_volume [497.5244]
_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
[
  Ac  Ac0  4  0.1357  0.2500  0.8011  1
  Np  Np1  4  0.2287  0.7500  0.5403  1
  S  S2  4  0.0141  0.2500  0.6000  1
  S  S3  4  0.1300  0.7500  0.9431  1
  S  S4  4  0.1566  0.2500  0.2125  1
]