data_[Li4Mn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [6.5431]
_cell_length_b [7.2260]
_cell_length_c [12.0751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2MnBr6]
_chemical_formula_sum '[Li4 Mn2 Br12]'
_cell_volume [498.8588]
_cell_formula_units_Z [2]
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  4  0.1317  0.1317  0.6480  1
  Mn  Mn1  2  0.5000  0.0000  0.5000  1
  Br  Br2  4  0.1539  0.0409  0.2851  1
  Br  Br3  4  0.2574  0.6781  0.0674  1
  Br  Br4  4  0.3994  0.2134  0.0695  1
]