data_[K3Li1Mn2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1976]
_cell_length_b [7.1976]
_cell_length_c [8.9783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Li(MnCl4)2]
_chemical_formula_sum '[K3 Li1 Mn2 Cl8]'
_cell_volume [402.8079]
_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  0.3333  0.6667  0.6164  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Li  Li2  1  0.0000  0.0000  0.5000  1
  Mn  Mn3  2  0.3333  0.6667  0.2066  1
  Cl  Cl4  6  0.1629  0.3259  0.3217  1
  Cl  Cl5  2  0.3333  0.6667  0.9519  1
]