data_[Rb4Be8In4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5326]
_cell_length_b [14.0112]
_cell_length_c [14.6587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbBe2InI6]
_chemical_formula_sum '[Rb4 Be8 In4 I24]'
_cell_volume [2097.8784]
_cell_formula_units_Z [4]
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  4  0.0000  0.1581  0.2500  1.0
  Be  Be1  8  0.2308  0.1238  0.6924  1.0
  In  In2  4  0.0000  0.4282  0.7500  1.0
  I  I3  8  0.1425  0.3807  0.1536  1.0
  I  I4  8  0.1571  0.2666  0.6206  1.0
  I  I5  8  0.1884  0.0159  0.1066  1.0
]