data_[Cs1Hf1Ga2Cl8]
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 [P-1]
_cell_length_a [6.7875]
_cell_length_b [7.3605]
_cell_length_c [8.0041]
_cell_angle_alpha [97.6302]
_cell_angle_beta [91.4682]
_cell_angle_gamma [90.0958]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHf(GaCl4)2]
_chemical_formula_sum '[Cs1 Hf1 Ga2 Cl8]'
_cell_volume [396.2063]
_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
[
  Cs  Cs0  1  0.5000  0.5000  0.0000  1.0
  Hf  Hf1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  2  0.2197  0.0045  0.5001  1.0
  Cl  Cl3  2  0.0118  0.7342  0.1549  1.0
  Cl  Cl4  2  0.2218  0.1710  0.2171  1.0
  Cl  Cl5  2  0.2765  0.8805  0.8267  1.0
  Cl  Cl6  2  0.4916  0.7901  0.4059  1.0
]