data_LiMnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.42
_cell_length_b   2.42
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnB
_chemical_formula_sum   'Li1 Mn1 B1'
_cell_volume   29.64
_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  0.0  0.78  1.0
  Mn  Mn2  1  0.21  0.7  0.12  1.0
  B  B0  1  1.0  0.4  0.75  1.0

data_LiMnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   2.42
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnB
_chemical_formula_sum   'Li1 Mn1 B1'
_cell_volume   29.64
_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  0.0  0.0  0.78  1.0
  Mn  Mn1  1  0.21  0.7  0.12  1.0
  B  B2  1  1.0  0.4  0.75  1.0

Li Mn B