data_[Rb6Li3Hf9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.6796]
_cell_length_b [7.6796]
_cell_length_c [26.1128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Rb2LiHf3Se8]
_chemical_formula_sum '[Rb6 Li3 Hf9 Se24]'
_cell_volume [1333.7112]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5107  1.0
  Rb  Rb1  3  0.0000  0.0000  0.8607  1.0
  Li  Li2  3  0.0000  0.0000  0.0128  1.0
  Hf  Hf3  9  0.0054  0.5027  0.0115  1.0
  Se  Se4  9  0.0120  0.5060  0.2861  1.0
  Se  Se5  9  0.1710  0.3419  0.0705  1.0
  Se  Se6  3  0.0000  0.0000  0.2832  1.0
  Se  Se7  3  0.0000  0.0000  0.7359  1.0
]