data_[Rb2Sc2Si2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4767]
_cell_length_b [7.0063]
_cell_length_c [9.3891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbScSiSe4]
_chemical_formula_sum '[Rb2 Sc2 Si2 Se8]'
_cell_volume [403.4381]
_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  2  0.2456  0.2500  0.0552  1.0
  Sc  Sc1  2  0.2215  0.2500  0.5476  1.0
  Si  Si2  2  0.2276  0.7500  0.3435  1.0
  Se  Se3  4  0.0137  0.5016  0.6931  1.0
  Se  Se4  2  0.4279  0.7500  0.1858  1.0
  Se  Se5  2  0.4612  0.7500  0.5800  1.0
]