data_[Rb12V4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4107]
_cell_length_b [13.7896]
_cell_length_c [10.9880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3VSe3]
_chemical_formula_sum '[Rb12 V4 Se12]'
_cell_volume [1000.2676]
_cell_formula_units_Z [4]
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  0.1230  0.1979  0.4072  1
  Rb  Rb1  4  0.3541  0.5624  0.1047  1
  Rb  Rb2  4  0.4013  0.6446  0.5254  1
  V  V3  4  0.0556  0.5462  0.6380  1
  Se  Se4  4  0.1229  0.0373  0.7567  1
  Se  Se5  4  0.1470  0.1173  0.1207  1
  Se  Se6  4  0.3439  0.6529  0.8040  1
]