data_[Ca4Np24S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.0590]
_cell_length_b [11.0590]
_cell_length_c [11.0590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ca(Np3S4)2]
_chemical_formula_sum '[Ca4 Np24 S32]'
_cell_volume [1352.5423]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.0000  1
  Np  Np1  24  0.0000  0.2500  0.2500  1
  S  S2  24  0.0000  0.0000  0.2524  1
  S  S3  8  0.2500  0.2500  0.2500  1
]