data_[K1Mn1H2Cl8]
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
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1219]
_cell_length_b [6.9355]
_cell_length_c [8.6643]
_cell_angle_alpha [76.2167]
_cell_angle_beta [84.0078]
_cell_angle_gamma [83.0944]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMn(HCl4)2]
_chemical_formula_sum '[K1 Mn1 H2 Cl8]'
_cell_volume [353.5932]
_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
  H  H2  2  0.4444  0.7593  0.7568  1.0
  Cl  Cl3  2  0.0613  0.2314  0.1337  1.0
  Cl  Cl4  2  0.0854  0.2183  0.7667  1.0
  Cl  Cl5  2  0.3584  0.8593  0.0100  1.0
  Cl  Cl6  2  0.4879  0.7240  0.6152  1.0
]