data_[K2Cu2Hg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0516]
_cell_length_b [7.7244]
_cell_length_c [8.7782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCuHgBr4]
_chemical_formula_sum '[K2 Cu2 Hg2 Br8]'
_cell_volume [462.4429]
_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  2  0.2336  0.2500  0.0783  1.0
  Cu  Cu1  2  0.2058  0.7500  0.2920  1.0
  Hg  Hg2  2  0.2734  0.2500  0.6393  1.0
  Br  Br3  4  0.0323  0.0132  0.7273  1.0
  Br  Br4  2  0.3942  0.7500  0.0959  1.0
  Br  Br5  2  0.4829  0.7500  0.5384  1.0
]