data_[Rb12In12Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2663]
_cell_length_b [13.2405]
_cell_length_c [17.7558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Rb3In3Sn2]
_chemical_formula_sum '[Rb12 In12 Sn8]'
_cell_volume [1238.0808]
_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  8  0.0000  0.0738  0.6099  1.0
  Rb  Rb1  4  0.0000  0.3850  0.7500  1.0
  In  In2  8  0.0000  0.3637  0.5298  1.0
  In  In3  4  0.0000  0.3203  0.2500  1.0
  Sn  Sn4  8  0.0000  0.2127  0.1010  1.0
]