data_[Rb4Fe4Se8]
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 [Immm]
_cell_length_a [5.3778]
_cell_length_b [7.1244]
_cell_length_c [12.2564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [RbFeSe2]
_chemical_formula_sum '[Rb4 Fe4 Se8]'
_cell_volume [469.5897]
_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  4  0.0000  0.0000  0.3278  1.0
  Fe  Fe1  4  0.2492  0.0000  0.0000  1.0
  Se  Se2  4  0.0000  0.2582  0.0000  1.0
  Se  Se3  4  0.0000  0.5000  0.3490  1.0
]