data_[Cs4Er4Hg4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.9088]
_cell_length_b [8.4157]
_cell_length_c [11.8019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsErHgF6]
_chemical_formula_sum '[Cs4 Er4 Hg4 F24]'
_cell_volume [785.5174]
_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  0.0000  0.2500  0.3955  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.2500  0.2500  0.7500  1.0
  F  F3  16  0.1971  0.0336  0.8765  1.0
  F  F4  4  0.0000  0.2500  0.0427  1.0
  F  F5  4  0.0000  0.2500  0.6575  1.0
]