data_[K4Mg2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7370]
_cell_length_b [7.9794]
_cell_length_c [12.7247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2MgHgBr6]
_chemical_formula_sum '[K4 Mg2 Hg2 Br12]'
_cell_volume [649.4787]
_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  0.2912  0.0763  0.2599  1.0
  Mg  Mg1  2  0.5000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1341  0.0203  0.7401  1.0
  Br  Br4  4  0.2663  0.6809  0.5487  1.0
  Br  Br5  4  0.3648  0.2196  0.5458  1.0
]