data_Li2MnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   154.8
_cell_angle_beta   147.55
_cell_angle_gamma   41.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnB
_chemical_formula_sum   'Li2 Mn1 B1'
_cell_volume   48.15
_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  Li1  1  0.0  0.66  0.68  1.0
  Li  Li2  1  0.3  0.0  0.89  1.0
  Mn  Mn3  1  0.0  0.0  0.57  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Li2MnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   3.33
_cell_length_c   5.96
_cell_angle_alpha   106.22
_cell_angle_beta   102.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnB
_chemical_formula_sum   'Li2 Mn1 B1'
_cell_volume   48.15
_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  0.32  0.98  0.98  1.0
  Li  Li1  1  0.41  0.11  0.41  1.0
  Mn  Mn2  1  0.43  0.43  0.43  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Li Li Mn B
Li Li Mn B 0 3 o + + 1 2 o o o 