data_LiMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.0
_cell_angle_alpha   114.08
_cell_angle_beta   114.08
_cell_angle_gamma   27.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn
_chemical_formula_sum   'Li2 Mn2'
_cell_volume   46.86
_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  1  0.59  0.0  0.48  1.0
  Li  Li1  1  0.41  0.0  0.06  1.0
  Mn  Mn2  1  0.05  0.0  0.24  1.0
  Mn  Mn3  1  0.95  0.0  0.3  1.0

data_LiMn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.27
_cell_length_b   4.69
_cell_length_c   5.0
_cell_angle_alpha   114.08
_cell_angle_beta   90.0
_cell_angle_gamma   103.98
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiMn
_chemical_formula_sum   'Li2 Mn2'
_cell_volume   46.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.09  0.71  1.0
  Mn  Mn1  2  0.0  0.45  0.53  1.0

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