data_[Rb12Ni4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [6.3336]
_cell_length_b [6.3336]
_cell_length_c [14.9194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [92]
_chemical_formula_structural [Rb3NiO2]
_chemical_formula_sum '[Rb12 Ni4 O8]'
_cell_volume [598.4899]
_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  8  0.0175  0.5200  0.6260  1
  Rb  Rb1  4  0.0440  0.9560  0.2500  1
  Ni  Ni2  4  0.0036  0.0036  0.5000  1
  O  O3  8  0.1944  0.7945  0.0095  1
]