data_[Cs1Hf1In2Br8]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4822]
_cell_length_b [7.6047]
_cell_length_c [8.5837]
_cell_angle_alpha [98.5319]
_cell_angle_beta [90.6669]
_cell_angle_gamma [90.8962]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHf(InBr4)2]
_chemical_formula_sum '[Cs1 Hf1 In2 Br8]'
_cell_volume [482.9021]
_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
  In  In2  2  0.2127  0.0016  0.5044  1.0
  Br  Br3  2  0.0034  0.7328  0.1596  1.0
  Br  Br4  2  0.2287  0.1761  0.2039  1.0
  Br  Br5  2  0.2615  0.8598  0.8228  1.0
  Br  Br6  2  0.4924  0.7665  0.4003  1.0
]