data_[Ca2Ag4Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  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 [6.0065]
_cell_length_b [6.1986]
_cell_length_c [10.5779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaAg2HgF6]
_chemical_formula_sum '[Ca2 Ag4 Hg2 F12]'
_cell_volume [326.0478]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  2  0.5000  0.0000  0.0000  1.0
  Ag  Ag1  4  0.2283  0.0610  0.2471  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1255  0.1915  0.9331  1.0
  F  F4  4  0.2386  0.6983  0.9247  1.0
  F  F5  4  0.3867  0.0705  0.7575  1.0
]