data_[Rb6In51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.0778]
_cell_length_b [11.0778]
_cell_length_c [16.2512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2In17]
_chemical_formula_sum '[Rb6 In51]'
_cell_volume [1727.1256]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3398  1.0
  In  In1  18  0.0000  0.2914  0.0000  1.0
  In  In2  18  0.0030  0.5015  0.1478  1.0
  In  In3  9  0.0000  0.5000  0.5000  1.0
  In  In4  6  0.0000  0.0000  0.0986  1.0
]