data_[Rb3Zr1V2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9685]
_cell_length_b [5.9685]
_cell_length_c [7.9931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb3ZrV2O8]
_chemical_formula_sum '[Rb3 Zr1 V2 O8]'
_cell_volume [246.5887]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.2899  1.0
  Rb  Rb1  1  0.0000  0.0000  0.0000  1.0
  Zr  Zr2  1  0.0000  0.0000  0.5000  1.0
  V  V3  2  0.3333  0.6667  0.7315  1.0
  O  O4  6  0.1692  0.8308  0.6533  1.0
  O  O5  2  0.3333  0.6667  0.9432  1.0
]