data_[K1Li2Mn1Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6338]
_cell_length_b [6.6773]
_cell_length_c [8.5582]
_cell_angle_alpha [72.0608]
_cell_angle_beta [67.6466]
_cell_angle_gamma [64.2416]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLi2MnBr6]
_chemical_formula_sum '[K1 Li2 Mn1 Br6]'
_cell_volume [311.0960]
_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  0.0000  1.0
  Li  Li1  2  0.1418  0.1787  0.4812  1.0
  Mn  Mn2  1  0.5000  0.5000  0.5000  1.0
  Br  Br3  2  0.1292  0.4454  0.6894  1.0
  Br  Br4  2  0.2437  0.8786  0.3023  1.0
  Br  Br5  2  0.4551  0.7462  0.6843  1.0
]