data_[Np4As4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9011]
_cell_length_b [11.0514]
_cell_length_c [7.6353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np2As2S7]
_chemical_formula_sum '[Np4 As4 S14]'
_cell_volume [666.1226]
_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  4  0.0000  0.3239  0.0000  1
  As  As1  4  0.2490  0.0000  0.3590  1
  S  S2  8  0.2120  0.1700  0.1788  1
  S  S3  4  0.0785  0.5000  0.2161  1
  S  S4  2  0.0000  0.0000  0.5000  1
]