data_[Cs4H4F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9749]
_cell_length_b [5.9748]
_cell_length_c [8.8167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHF]
_chemical_formula_sum '[Cs4 H4 F4]'
_cell_volume [298.1684]
_cell_formula_units_Z [4]
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  4  0.1608  0.5000  0.8117  1.0
  H  H1  4  0.0241  0.0000  0.5454  1.0
  F  F2  4  0.1731  0.0000  0.8374  1.0
]