data_[K1Hg2Pt1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5944]
_cell_length_b [7.3250]
_cell_length_c [9.7340]
_cell_angle_alpha [70.4854]
_cell_angle_beta [85.8165]
_cell_angle_gamma [83.8809]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KHg2PtBr8]
_chemical_formula_sum '[K1 Hg2 Pt1 Br8]'
_cell_volume [440.3071]
_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  0.5000  1.0
  Hg  Hg1  2  0.4336  0.4553  0.8124  1.0
  Pt  Pt2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1753  0.2067  0.7736  1.0
  Br  Br4  2  0.2204  0.0897  0.1605  1.0
  Br  Br5  2  0.2635  0.6833  0.0027  1.0
  Br  Br6  2  0.4571  0.7356  0.5690  1.0
]