data_[Na3Li3Mn6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [R3]
_cell_length_a [6.9797]
_cell_length_b [6.9797]
_cell_length_c [18.7572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLi(MnBr3)2]
_chemical_formula_sum '[Na3 Li3 Mn6 Br18]'
_cell_volume [791.3508]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.1892  1
  Li  Li1  3  0.0000  0.0000  0.6786  1
  Mn  Mn2  3  0.0000  0.0000  0.4867  1
  Mn  Mn3  3  0.0000  0.0000  0.9920  1
  Br  Br4  9  0.0058  0.3578  0.7469  1
  Br  Br5  9  0.0133  0.6285  0.2504  1
]