data_[Np2Pt4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8673]
_cell_length_b [3.6836]
_cell_length_c [10.2743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np(PtS3)2]
_chemical_formula_sum '[Np2 Pt4 S12]'
_cell_volume [417.8479]
_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
[
  Np  Np0  2  0.0000  0.0000  0.5000  1
  Pt  Pt1  4  0.1629  0.5000  0.8285  1
  S  S2  4  0.0205  0.0000  0.7680  1
  S  S3  4  0.1700  0.5000  0.5946  1
  S  S4  4  0.1935  0.5000  0.0795  1
]