data_[Cs1H1Br1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2947]
_cell_length_b [4.6492]
_cell_length_c [5.4503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsHBrF]
_chemical_formula_sum '[Cs1 H1 Br1 F1]'
_cell_volume [132.7936]
_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  0.6420  0.5000  0.6808  1
  H  H1  1  0.8611  0.0000  0.1977  1
  Br  Br2  1  0.1182  0.0000  0.4965  1
  F  F3  1  0.7176  0.0000  0.0561  1
]