data_[Cs1Tb1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7266]
_cell_length_b [4.1415]
_cell_length_c [9.6246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsTbHg2F8]
_chemical_formula_sum '[Cs1 Tb1 Hg2 F8]'
_cell_volume [227.8276]
_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  1  0.0000  0.0000  0.5000  1.0
  Tb  Tb1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4804  0.5000  0.2087  1.0
  F  F3  2  0.2139  0.0000  0.2076  1.0
  F  F4  2  0.2141  0.5000  0.0300  1.0
  F  F5  2  0.2888  0.0000  0.8545  1.0
  F  F6  2  0.3121  0.5000  0.6053  1.0
]