data_[K8Li4Mn4Br20]
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 [Cmc2_1]
_cell_length_a [4.2702]
_cell_length_b [19.7948]
_cell_length_c [13.6532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2LiMnBr5]
_chemical_formula_sum '[K8 Li4 Mn4 Br20]'
_cell_volume [1154.0839]
_cell_formula_units_Z [4]
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  4  0.0000  0.1271  0.6825  1.0
  K  K1  4  0.0000  0.1360  0.3202  1.0
  Li  Li2  4  0.0000  0.2236  0.0462  1.0
  Mn  Mn3  4  0.0000  0.4351  0.4333  1.0
  Br  Br4  4  0.0000  0.0407  0.0317  1.0
  Br  Br5  4  0.0000  0.2978  0.6543  1.0
  Br  Br6  4  0.0000  0.3165  0.3737  1.0
  Br  Br7  4  0.0000  0.3470  0.0043  1.0
  Br  Br8  4  0.0000  0.4995  0.7778  1.0
]