data_[Rb2Ba2V2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1962]
_cell_length_b [7.1241]
_cell_length_c [9.7966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbBaVSe4]
_chemical_formula_sum '[Rb2 Ba2 V2 Se8]'
_cell_volume [478.6364]
_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  0.2927  0.7500  0.0742  1.0
  Ba  Ba1  2  0.2296  0.7500  0.5399  1.0
  V  V2  2  0.1896  0.2500  0.3001  1.0
  Se  Se3  4  0.0131  0.0053  0.7516  1.0
  Se  Se4  2  0.3535  0.2500  0.5422  1.0
  Se  Se5  2  0.3972  0.2500  0.1636  1.0
]