data_[Cs4Hg4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8335]
_cell_length_b [7.4339]
_cell_length_c [8.4308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsHgF2]
_chemical_formula_sum '[Cs4 Hg4 F8]'
_cell_volume [427.3167]
_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  0.1902  0.6009  0.7638  1
  Hg  Hg1  4  0.3876  0.0931  0.8536  1
  F  F2  4  0.1197  0.2203  0.6409  1
  F  F3  4  0.4350  0.6403  0.1537  1
]