data_[Cs4Hg4P8H24]
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
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.6610]
_cell_length_b [12.8187]
_cell_length_c [6.5465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsHg(PH3)2]
_chemical_formula_sum '[Cs4 Hg4 P8 H24]'
_cell_volume [726.8058]
_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  0.1828  0.2500  1.0
  Hg  Hg1  4  0.0000  0.3705  0.7500  1.0
  P  P2  8  0.2124  0.0602  0.7500  1.0
  H  H3  16  0.1819  0.4057  0.0887  1.0
  H  H4  8  0.1324  0.1594  0.7500  1.0
]