data_[K4Ga2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.0070]
_cell_length_b [7.0070]
_cell_length_c [11.2032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [K2GaHg5]
_chemical_formula_sum '[K4 Ga2 Hg10]'
_cell_volume [550.0504]
_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  4  0.0000  0.5000  0.2811  1
  Ga  Ga1  2  0.0000  0.0000  0.9233  1
  Hg  Hg2  8  0.2448  0.2448  0.5278  1
  Hg  Hg3  2  0.0000  0.0000  0.6821  1
]