data_[K1Na2Mn1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3310]
_cell_length_b [7.3539]
_cell_length_c [7.7952]
_cell_angle_alpha [66.1494]
_cell_angle_beta [62.5894]
_cell_angle_gamma [63.7374]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KNa2MnBr6]
_chemical_formula_sum '[K1 Na2 Mn1 Br6]'
_cell_volume [323.7592]
_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  0.1954  0.1854  0.4307  1.0
  Na  Na1  1  0.0106  0.9989  0.0202  1.0
  Na  Na2  1  0.4735  0.4602  0.5746  1.0
  Mn  Mn3  1  0.6755  0.6673  0.9894  1.0
  Br  Br4  1  0.0176  0.7529  0.7694  1.0
  Br  Br5  1  0.3124  0.6232  0.2087  1.0
  Br  Br6  1  0.4310  0.0437  0.7577  1.0
  Br  Br7  1  0.6281  0.8522  0.2184  1.0
  Br  Br8  1  0.7441  0.4523  0.7773  1.0
  Br  Br9  1  0.8502  0.3022  0.2385  1.0
]