data_[Cs2Li1Mn1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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-3m1]
_cell_length_a [7.6840]
_cell_length_b [7.6840]
_cell_length_c [6.5469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs2LiMnBr6]
_chemical_formula_sum '[Cs2 Li1 Mn1 Br6]'
_cell_volume [334.7626]
_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
[
  Cs  Cs0  2  0.3333  0.6667  0.2363  1.0
  Li  Li1  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  6  0.1568  0.3135  0.7688  1.0
]