data_[Rb4V4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.4985]
_cell_length_b [11.6256]
_cell_length_c [5.8255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [RbVO3]
_chemical_formula_sum '[Rb4 V4 O12]'
_cell_volume [372.3860]
_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  0.0646  0.1024  0.2500  1.0
  V  V1  4  0.4736  0.6659  0.7500  1.0
  O  O2  4  0.1700  0.6481  0.7500  1.0
  O  O3  4  0.3852  0.0389  0.7500  1.0
  O  O4  4  0.4281  0.2500  0.0000  1.0
]