data_[Rb6Si2Se8]
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 [Imm2]
_cell_length_a [6.0985]
_cell_length_b [13.8115]
_cell_length_c [7.1215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Rb3SiSe4]
_chemical_formula_sum '[Rb6 Si2 Se8]'
_cell_volume [599.8297]
_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  0.2871  0.6638  1.0
  Rb  Rb1  2  0.0000  0.0000  0.8273  1.0
  Si  Si2  2  0.0000  0.5000  0.0228  1.0
  Se  Se3  4  0.0000  0.3602  0.1935  1.0
  Se  Se4  4  0.2341  0.0000  0.2931  1.0
]