data_[Cs6Hg3F14]
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 [P3]
_cell_length_a [10.4921]
_cell_length_b [10.4921]
_cell_length_c [6.5385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Cs6Hg3F14]
_chemical_formula_sum '[Cs6 Hg3 F14]'
_cell_volume [623.3538]
_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  3  0.0437  0.2694  0.2623  1
  Cs  Cs1  3  0.4555  0.4188  0.7958  1
  Hg  Hg2  1  0.0000  0.0000  0.8045  1
  Hg  Hg3  1  0.3333  0.6667  0.4330  1
  Hg  Hg4  1  0.6667  0.3333  0.3466  1
  F  F5  3  0.1434  0.6078  0.2486  1
  F  F6  3  0.2001  0.1642  0.9761  1
  F  F7  3  0.2077  0.4783  0.6227  1
  F  F8  3  0.4583  0.1919  0.5174  1
  F  F9  1  0.0000  0.0000  0.4740  1
  F  F10  1  0.6667  0.3333  0.0162  1
]