data_[Rb32Si8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0533]
_cell_length_b [7.6222]
_cell_length_c [26.6639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb4SiSe4]
_chemical_formula_sum '[Rb32 Si8 Se32]'
_cell_volume [2821.4968]
_cell_formula_units_Z [8]
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  0.1110  0.1938  0.8466  1
  Rb  Rb1  8  0.1544  0.4872  0.4808  1
  Rb  Rb2  8  0.2199  0.1352  0.6670  1
  Rb  Rb3  4  0.0000  0.0000  0.0000  1
  Rb  Rb4  4  0.0000  0.2491  0.2500  1
  Si  Si5  8  0.0921  0.3805  0.1217  1
  Se  Se6  8  0.0528  0.2345  0.3769  1
  Se  Se7  8  0.0579  0.3508  0.5829  1
  Se  Se8  8  0.1791  0.4317  0.2016  1
  Se  Se9  8  0.1852  0.2117  0.0762  1
]