data_Li2MnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   131.61
_cell_angle_beta   131.61
_cell_angle_gamma   70.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnBr4
_chemical_formula_sum   'Li2 Mn1 Br4'
_cell_volume   167.26
_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
  Li  Li0  1  0.76  0.0  0.74  1.0
  Li  Li1  1  0.0  0.76  0.74  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.0  0.37  1.0
  Br  Br4  1  0.0  0.0  0.61  1.0
  Br  Br5  1  0.0  0.76  0.0  1.0
  Br  Br6  1  0.76  0.0  0.0  1.0

data_Li2MnBr4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   125.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2MnBr4
_chemical_formula_sum   'Li4 Mn2 Br8'
_cell_volume   334.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.14  0.12  0.02  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Br  Br2  4  0.38  0.38  0.76  1.0
  Br  Br3  2  0.13  0.5  0.63  1.0
  Br  Br4  2  0.39  0.0  0.39  1.0

Li Li Mn Br Br Br Br