data_[K2Hg4P4]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1073]
_cell_length_b [6.2932]
_cell_length_c [10.2416]
_cell_angle_alpha [81.5843]
_cell_angle_beta [82.5924]
_cell_angle_gamma [68.3037]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K(HgP)2]
_chemical_formula_sum '[K2 Hg4 P4]'
_cell_volume [301.5645]
_cell_formula_units_Z [2]
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  1  0.4381  0.3162  0.7803  1.0
  K  K1  1  0.9994  0.4324  0.1567  1.0
  Hg  Hg2  1  0.0335  0.2424  0.5127  1.0
  Hg  Hg3  1  0.3248  0.6708  0.3915  1.0
  Hg  Hg4  1  0.6531  0.0426  0.3620  1.0
  Hg  Hg5  1  0.7854  0.7339  0.6461  1.0
  P  P6  1  0.1822  0.8958  0.7964  1.0
  P  P7  1  0.3828  0.7405  0.9874  1.0
  P  P8  1  0.5588  0.9684  0.0682  1.0
  P  P9  1  0.9522  0.0184  0.9869  1.0
]