data_[K1Mn1Hg2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1748]
_cell_length_b [5.4747]
_cell_length_c [7.3950]
_cell_angle_alpha [84.4821]
_cell_angle_beta [87.9876]
_cell_angle_gamma [89.7816]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMnHg2F8]
_chemical_formula_sum '[K1 Mn1 Hg2 F8]'
_cell_volume [208.4022]
_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  0.4763  0.4829  0.7582  1.0
  F  F3  2  0.1301  0.7886  0.1939  1.0
  F  F4  2  0.1466  0.8108  0.8241  1.0
  F  F5  2  0.3374  0.2590  0.9896  1.0
  F  F6  2  0.4176  0.2724  0.4677  1.0
]