data_[K2Mn1Hg1Cl6]
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 [7.0615]
_cell_length_b [7.2140]
_cell_length_c [7.3597]
_cell_angle_alpha [118.5261]
_cell_angle_beta [91.7670]
_cell_angle_gamma [117.9897]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2MnHgCl6]
_chemical_formula_sum '[K2 Mn1 Hg1 Cl6]'
_cell_volume [274.7152]
_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  2  0.2492  0.4930  0.2272  1.0
  Mn  Mn1  1  0.5000  0.0000  0.0000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.2119  0.0082  0.1813  1.0
  Cl  Cl4  2  0.2787  0.9412  0.6626  1.0
  Cl  Cl5  2  0.2883  0.5298  0.8072  1.0
]