data_[Nd3In6Ag3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3891]
_cell_length_b [8.3891]
_cell_length_c [23.2793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdIn2AgI6]
_chemical_formula_sum '[Nd3 In6 Ag3 I18]'
_cell_volume [1418.8318]
_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
[
  Nd  Nd0  3  0.0000  0.0000  0.3297  1.0
  In  In1  3  0.0000  0.0000  0.0166  1.0
  In  In2  3  0.0000  0.0000  0.5294  1.0
  Ag  Ag3  3  0.0000  0.0000  0.7457  1.0
  I  I4  9  0.0236  0.6329  0.0859  1.0
  I  I5  9  0.0412  0.3386  0.9273  1.0
]