data_[Cs1Nd1Ag1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6251]
_cell_length_b [7.7922]
_cell_length_c [8.3840]
_cell_angle_alpha [93.7081]
_cell_angle_beta [97.9555]
_cell_angle_gamma [110.5582]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsNdAgI6]
_chemical_formula_sum '[Cs1 Nd1 Ag1 I6]'
_cell_volume [458.4703]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.9313  0.0352  0.0167  1
  Nd  Nd1  1  0.3313  0.6840  0.5235  1
  Ag  Ag2  1  0.7194  0.3765  0.4559  1
  I  I3  1  0.0381  0.3444  0.6515  1
  I  I4  1  0.3614  0.9709  0.7959  1
  I  I5  1  0.4176  0.4259  0.2527  1
  I  I6  1  0.5775  0.9882  0.3312  1
  I  I7  1  0.6396  0.5729  0.7281  1
  I  I8  1  0.9837  0.6018  0.2444  1
]