data_[Rb12Fe8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8440]
_cell_length_b [10.6995]
_cell_length_c [7.3526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb3(FeSe2)2]
_chemical_formula_sum '[Rb12 Fe8 Se16]'
_cell_volume [1161.0439]
_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  0.1223  0.1349  0.5520  1
  Rb  Rb1  4  0.0000  0.4136  0.2500  1
  Fe  Fe2  8  0.2188  0.3714  0.9498  1
  Se  Se3  8  0.1222  0.1943  0.0151  1
  Se  Se4  8  0.1842  0.4419  0.6269  1
]