data_[Rb1Sm1Ag1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6248]
_cell_length_b [7.7506]
_cell_length_c [8.0791]
_cell_angle_alpha [93.5329]
_cell_angle_beta [95.2868]
_cell_angle_gamma [112.4724]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbSmAgI6]
_chemical_formula_sum '[Rb1 Sm1 Ag1 I6]'
_cell_volume [436.8706]
_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  0.9591  0.0175  0.0081  1.0
  Sm  Sm1  1  0.3256  0.6854  0.5141  1.0
  Ag  Ag2  1  0.7038  0.3659  0.4685  1.0
  I  I3  1  0.0228  0.3584  0.6716  1.0
  I  I4  1  0.3600  0.9800  0.7836  1.0
  I  I5  1  0.4062  0.4044  0.2588  1.0
  I  I6  1  0.6065  0.9884  0.3212  1.0
  I  I7  1  0.6246  0.5843  0.7297  1.0
  I  I8  1  0.9916  0.6160  0.2443  1.0
]