data_Li4Mn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn5
_chemical_formula_sum   'Li8 Mn10'
_cell_volume   238.29
_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  0.0  0.0  0.53  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.04  0.8  0.8  1.0
  Li  Li3  1  0.3  0.0  0.8  1.0
  Li  Li4  1  0.35  0.59  0.8  1.0
  Li  Li5  1  0.65  0.59  0.27  1.0
  Li  Li6  1  0.08  0.0  0.27  1.0
  Li  Li7  1  0.96  0.8  0.27  1.0
  Mn  Mn8  1  0.22  0.84  0.8  1.0
  Mn  Mn9  1  0.94  0.0  0.8  1.0
  Mn  Mn10  1  0.53  0.55  0.8  1.0
  Mn  Mn11  1  0.47  0.55  0.27  1.0
  Mn  Mn12  1  0.43  0.0  0.27  1.0
  Mn  Mn13  1  0.78  0.84  0.27  1.0
  Mn  Mn14  1  0.0  0.26  0.53  1.0
  Mn  Mn15  1  0.69  0.13  0.0  1.0
  Mn  Mn16  1  0.69  0.13  0.53  1.0
  Mn  Mn17  1  0.0  0.26  0.0  1.0

data_Li4Mn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   7.37
_cell_length_c   7.37
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn5
_chemical_formula_sum   'Li8 Mn10'
_cell_volume   238.29
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.27  0.08  0.0  1.0
  Li  Li2  1  0.27  0.65  0.59  1.0
  Li  Li3  1  0.27  0.96  0.8  1.0
  Li  Li4  1  0.53  0.0  0.0  1.0
  Li  Li5  1  0.8  0.04  0.8  1.0
  Li  Li6  1  0.8  0.3  0.0  1.0
  Li  Li7  1  0.8  0.35  0.59  1.0
  Mn  Mn8  1  -0.0  0.0  0.26  1.0
  Mn  Mn9  1  -0.0  0.69  0.13  1.0
  Mn  Mn10  1  0.27  0.43  0.0  1.0
  Mn  Mn11  1  0.27  0.47  0.55  1.0
  Mn  Mn12  1  0.27  0.78  0.84  1.0
  Mn  Mn13  1  0.53  0.0  0.26  1.0
  Mn  Mn14  1  0.53  0.69  0.13  1.0
  Mn  Mn15  1  0.8  0.22  0.84  1.0
  Mn  Mn16  1  0.8  0.53  0.55  1.0
  Mn  Mn17  1  0.8  0.94  0.0  1.0

Li Li Li Li Li Li Li Li Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn