data_[Rb2Hf4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4384]
_cell_length_b [7.2055]
_cell_length_c [8.3950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbHf2Cl8]
_chemical_formula_sum '[Rb2 Hf4 Cl16]'
_cell_volume [715.8581]
_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  2  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  4  0.2489  0.0000  0.5030  1.0
  Cl  Cl2  8  0.1014  0.2535  0.3846  1.0
  Cl  Cl3  4  0.1982  0.0000  0.7567  1.0
  Cl  Cl4  4  0.2157  0.5000  0.7634  1.0
]