data_[Rb4Sc4Sb2Se12]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8830]
_cell_length_b [12.0049]
_cell_length_c [8.5309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Sc2SbSe6]
_chemical_formula_sum '[Rb4 Sc4 Sb2 Se12]'
_cell_volume [679.1057]
_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  0.1650  0.0000  1.0
  Sc  Sc1  4  0.0000  0.3321  0.5000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2318  0.1688  0.6854  1.0
  Se  Se4  4  0.2209  0.5000  0.6846  1.0
]