data_[K4Ag1Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.0510]
_cell_length_b [5.0822]
_cell_length_c [12.5035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [K4AgHg3]
_chemical_formula_sum '[K4 Ag1 Hg3]'
_cell_volume [320.9656]
_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
[
  K  K0  1  0.0000  0.0000  0.1421  1.0
  K  K1  1  0.0000  0.5000  0.8622  1.0
  K  K2  1  0.5000  0.0000  0.6464  1.0
  K  K3  1  0.5000  0.5000  0.3502  1.0
  Ag  Ag4  1  0.5000  0.5000  0.0612  1.0
  Hg  Hg5  1  0.0000  0.0000  0.4309  1.0
  Hg  Hg6  1  0.0000  0.5000  0.5700  1.0
  Hg  Hg7  1  0.5000  0.0000  0.9370  1.0
]