data_[Cs1Hf1Ga2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3304]
_cell_length_b [8.6096]
_cell_length_c [7.9544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsHf(GaBr4)2]
_chemical_formula_sum '[Cs1 Hf1 Ga2 Br8]'
_cell_volume [501.9172]
_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  0.0000  0.5000  0.5000  1.0
  Hf  Hf1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  2  0.5000  0.2652  0.0000  1.0
  Br  Br3  4  0.1619  0.2170  0.1827  1.0
  Br  Br4  2  0.2825  0.0000  0.8041  1.0
  Br  Br5  2  0.3955  0.5000  0.7886  1.0
]