data_[Cs1Pm1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2612]
_cell_length_b [6.3266]
_cell_length_c [8.7285]
_cell_angle_alpha [80.9540]
_cell_angle_beta [84.3645]
_cell_angle_gamma [78.1001]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPmHg2F8]
_chemical_formula_sum '[Cs1 Pm1 Hg2 F8]'
_cell_volume [226.8604]
_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
  Pm  Pm1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.4003  0.4478  0.7199  1
  F  F3  2  0.0353  0.7384  0.2334  1
  F  F4  2  0.1194  0.7626  0.8229  1
  F  F5  2  0.3960  0.3258  0.4634  1
  F  F6  2  0.4504  0.1926  0.9401  1
]