data_[Rb2Hf6Fe1]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.9342]
_cell_length_b [9.9342]
_cell_length_c [3.2790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Rb2Hf6Fe]
_chemical_formula_sum '[Rb2 Hf6 Fe1]'
_cell_volume [280.2469]
_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  0.5000  1
  Hf  Hf1  3  0.0000  0.2012  0.5000  1
  Hf  Hf2  3  0.0000  0.7197  0.0000  1
  Fe  Fe3  1  0.0000  0.0000  0.0000  1
]