data_[Rb2B4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  B  2.0400  0.8500  0.4100
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1208]
_cell_length_b [11.9120]
_cell_length_c [7.2866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb(BI4)2]
_chemical_formula_sum '[Rb2 B4 I16]'
_cell_volume [1129.4206]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  B  B1  4  0.2302  0.0000  0.5876  1
  I  I2  8  0.1398  0.1550  0.6452  1
  I  I3  4  0.1221  0.5000  0.2219  1
  I  I4  4  0.2387  0.5000  0.7088  1
]