data_[Cs3Sc6V3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9911]
_cell_length_b [6.9911]
_cell_length_c [30.5025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsSc2VBr8]
_chemical_formula_sum '[Cs3 Sc6 V3 Br24]'
_cell_volume [1291.0773]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  -0.0000  0.0000  0.5000  1
  Sc  Sc1  6  0.0000  0.0000  0.2615  1
  V  V2  3  0.0000  0.0000  0.0000  1
  Br  Br3  18  0.0123  0.6511  0.7183  1
  Br  Br4  6  0.0000  0.0000  0.1791  1
]