data_[Rb16Sc8V8Se32]
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
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.2598]
_cell_length_b [14.3444]
_cell_length_c [25.1251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Rb2ScVSe4]
_chemical_formula_sum '[Rb16 Sc8 V8 Se32]'
_cell_volume [2256.0377]
_cell_formula_units_Z [8]
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  16  0.0000  0.0000  0.1790  1
  Sc  Sc1  8  0.0000  0.0000  0.0000  1
  V  V2  8  0.0000  0.0000  0.5000  1
  Se  Se3  32  0.0178  0.1499  0.6979  1
]