data_[K1Mn1Hg2Cl8]
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 [6.5367]
_cell_length_b [7.1818]
_cell_length_c [8.8470]
_cell_angle_alpha [110.7359]
_cell_angle_beta [94.8765]
_cell_angle_gamma [98.4928]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMn(HgCl4)2]
_chemical_formula_sum '[K1 Mn1 Hg2 Cl8]'
_cell_volume [379.9109]
_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  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4902  0.7060  0.7098  1.0
  Cl  Cl3  2  0.1202  0.7611  0.7264  1.0
  Cl  Cl4  2  0.1955  0.8823  0.1552  1.0
  Cl  Cl5  2  0.2777  0.2662  0.0346  1.0
  Cl  Cl6  2  0.4458  0.2880  0.5691  1.0
]