data_[Li6Mg3Mn3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7948]
_cell_length_b [6.7948]
_cell_length_c [18.5960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2MgMnBr6]
_chemical_formula_sum '[Li6 Mg3 Mn3 Br18]'
_cell_volume [743.5429]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0128  1.0
  Li  Li1  3  0.0000  0.0000  0.5111  1.0
  Mg  Mg2  3  0.0000  0.0000  0.8230  1.0
  Mn  Mn3  3  0.0000  0.0000  0.3222  1.0
  Br  Br4  9  0.0082  0.6895  0.4152  1.0
  Br  Br5  9  0.0083  0.3191  0.9154  1.0
]