data_[K1Mn2Hg1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3602]
_cell_length_b [6.5302]
_cell_length_c [9.1768]
_cell_angle_alpha [75.2887]
_cell_angle_beta [76.5646]
_cell_angle_gamma [80.0861]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMn2HgCl8]
_chemical_formula_sum '[K1 Mn2 Hg1 Cl8]'
_cell_volume [355.9534]
_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
  Mn  Mn1  2  0.4607  0.4629  0.7070  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2038  0.3104  0.9309  1.0
  Cl  Cl4  2  0.2697  0.8088  0.2249  1.0
  Cl  Cl5  2  0.2881  0.3784  0.5172  1.0
  Cl  Cl6  2  0.3043  0.7942  0.7493  1.0
]