data_[Rb16Hf2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8687]
_cell_length_b [7.9033]
_cell_length_c [14.2812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb8HfO6]
_chemical_formula_sum '[Rb16 Hf2 O12]'
_cell_volume [888.1184]
_cell_formula_units_Z [2]
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  0.2091  0.9816  0.1345  1
  Rb  Rb1  4  0.2380  0.9299  0.8859  1
  Rb  Rb2  4  0.2456  0.5816  0.2793  1
  Rb  Rb3  2  0.0000  0.4453  0.0191  1
  Rb  Rb4  2  0.0000  0.7523  0.4757  1
  Hf  Hf5  2  0.0000  0.3459  0.5210  1
  O  O6  4  0.2022  0.4122  0.4483  1
  O  O7  2  0.0000  0.0956  0.5303  1
  O  O8  2  0.0000  0.0985  0.9960  1
  O  O9  2  0.0000  0.4563  0.6449  1
  O  O10  2  0.0000  0.8451  0.2809  1
]