data_[Na2Nd2Si2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5392]
_cell_length_b [6.5998]
_cell_length_c [8.0992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaNdSiS4]
_chemical_formula_sum '[Na2 Nd2 Si2 S8]'
_cell_volume [337.3679]
_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
[
  Na  Na0  2  0.2540  0.2500  0.0609  1.0
  Nd  Nd1  2  0.2264  0.2500  0.5547  1.0
  Si  Si2  2  0.2317  0.7500  0.3066  1.0
  S  S3  4  0.0157  0.0006  0.2619  1.0
  S  S4  2  0.3997  0.7500  0.5721  1.0
  S  S5  2  0.4345  0.7500  0.1434  1.0
]