data_[Rb1Nd1Ag1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [7.6384]
_cell_length_b [7.7813]
_cell_length_c [8.1149]
_cell_angle_alpha [93.4960]
_cell_angle_beta [95.5726]
_cell_angle_gamma [112.2412]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbNdAgI6]
_chemical_formula_sum '[Rb1 Nd1 Ag1 I6]'
_cell_volume [441.8179]
_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
[
  Rb  Rb0  1  0.9572  0.0173  0.0083  1.0
  Nd  Nd1  1  0.3251  0.6873  0.5157  1.0
  Ag  Ag2  1  0.7048  0.3673  0.4665  1.0
  I  I3  1  0.0216  0.3544  0.6704  1.0
  I  I4  1  0.3633  0.9816  0.7907  1.0
  I  I5  1  0.4063  0.4053  0.2572  1.0
  I  I6  1  0.6063  0.9910  0.3201  1.0
  I  I7  1  0.6283  0.5824  0.7297  1.0
  I  I8  1  0.9874  0.6137  0.2413  1.0
]