data_[Rb4V4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4095]
_cell_length_b [14.6935]
_cell_length_c [13.4798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbVI4]
_chemical_formula_sum '[Rb4 V4 I16]'
_cell_volume [1285.4262]
_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  0.1019  0.5657  0.2583  1
  V  V1  4  0.4938  0.6752  0.7720  1
  I  I2  4  0.1236  0.6772  0.7477  1
  I  I3  4  0.2831  0.0619  0.5676  1
  I  I4  4  0.3560  0.1612  0.1825  1
  I  I5  4  0.4763  0.6174  0.5858  1
]