data_[Np3S3Br3F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0073]
_cell_length_b [4.0073]
_cell_length_c [21.6958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NpSBrF]
_chemical_formula_sum '[Np3 S3 Br3 F3]'
_cell_volume [301.7194]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2734  1
  S  S1  3  0.0000  0.0000  0.8705  1
  Br  Br2  3  0.0000  0.0000  0.0387  1
  F  F3  3  0.0000  0.0000  0.6219  1
]