data_[Rb6In6Pb16]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1216]
_cell_length_b [12.8588]
_cell_length_c [15.1711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Rb3In3Pb8]
_chemical_formula_sum '[Rb6 In6 Pb16]'
_cell_volume [999.1235]
_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  4  0.0000  0.0000  0.2196  1.0
  Rb  Rb1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.0000  0.1579  0.0000  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb4  8  0.0000  0.2958  0.3437  1.0
  Pb  Pb5  8  0.0000  0.3527  0.1266  1.0
]