data_[K4Hg4P8H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [10.2744]
_cell_length_b [10.1960]
_cell_length_c [6.2433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KHg(PH3)2]
_chemical_formula_sum '[K4 Hg4 P8 H24]'
_cell_volume [654.0317]
_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
[
  K  K0  4  0.0000  0.2069  0.7500  1.0
  Hg  Hg1  4  0.0000  0.4315  0.2500  1.0
  P  P2  8  0.1894  0.0735  0.2500  1.0
  H  H3  16  0.2245  0.3830  0.5788  1.0
  H  H4  8  0.1133  0.1936  0.2500  1.0
]