data_[La4Np4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0570]
_cell_length_b [14.2156]
_cell_length_c [8.6785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [La2Np2S7]
_chemical_formula_sum '[La4 Np4 S14]'
_cell_volume [500.5145]
_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
[
  La  La0  4  0.0000  0.2407  0.5802  1
  Np  Np1  2  0.0000  0.0000  0.8343  1
  Np  Np2  2  0.0000  0.5000  0.7910  1
  S  S3  4  0.0000  0.1036  0.1104  1
  S  S4  4  0.0000  0.3200  0.8823  1
  S  S5  4  0.0000  0.3739  0.2857  1
  S  S6  2  0.0000  0.0000  0.5113  1
]