data_[Cs12Hf6Ga6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0014]
_cell_length_b [8.0014]
_cell_length_c [37.8174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2HfGaCl6]
_chemical_formula_sum '[Cs12 Hf6 Ga6 Cl36]'
_cell_volume [2096.7741]
_cell_formula_units_Z [6]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.1277  1
  Cs  Cs1  6  0.0000  0.0000  0.2842  1
  Hf  Hf2  3  -0.0000  -0.0000  0.5000  1
  Hf  Hf3  3  0.0000  0.0000  0.0000  1
  Ga  Ga4  6  0.0000  0.0000  0.4234  1
  Cl  Cl5  18  0.0031  0.5015  0.1337  1
  Cl  Cl6  18  0.0438  0.5219  0.7044  1
]