data_[K12Rb3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.6188]
_cell_length_b [6.6188]
_cell_length_c [25.3548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [K12Rb3Hg]
_chemical_formula_sum '[K12 Rb3 Hg1]'
_cell_volume [1110.7574]
_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  4  0.0000  0.5000  0.0971  1
  K  K1  4  0.0000  0.5000  0.3657  1
  Rb  Rb2  2  0.0000  0.0000  0.2315  1
  K  K3  2  0.5000  0.5000  0.2312  1
  Rb  Rb4  1  0.0000  0.0000  0.5000  1
  K  K5  1  0.5000  0.5000  0.0000  1
  K  K6  1  0.5000  0.5000  0.5000  1
  Hg  Hg7  1  0.0000  0.0000  0.0000  1
]