data_[Rb1Sn2As1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6795]
_cell_length_b [7.7860]
_cell_length_c [9.9806]
_cell_angle_alpha [79.8182]
_cell_angle_beta [83.7010]
_cell_angle_gamma [81.9799]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbSn2AsI8]
_chemical_formula_sum '[Rb1 Sn2 As1 I8]'
_cell_volume [579.4030]
_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  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  2  0.4598  0.4453  0.7469  1.0
  As  As2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.1550  0.7493  0.2218  1.0
  I  I4  2  0.2112  0.8010  0.8062  1.0
  I  I5  2  0.2816  0.2178  0.9912  1.0
  I  I6  2  0.3593  0.2877  0.5224  1.0
]