data_Li4Mn3FeO8
_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   59.64
_cell_angle_beta   59.64
_cell_angle_gamma   59.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn3FeO8
_chemical_formula_sum   'Li4 Mn3 Fe1 O8'
_cell_volume   148.69
_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  0.0  1.0
  Li  Li1  1  0.48  0.14  0.88  1.0
  Li  Li2  1  0.0  0.71  0.88  1.0
  Li  Li3  1  0.52  0.14  0.88  1.0
  Mn  Mn4  1  0.52  0.86  0.44  1.0
  Mn  Mn5  1  0.0  0.29  0.44  1.0
  Mn  Mn6  1  0.48  0.86  0.44  1.0
  Fe  Fe7  1  0.0  0.0  0.32  1.0
  O  O8  1  0.0  0.0  0.74  1.0
  O  O9  1  0.49  0.14  0.37  1.0
  O  O10  1  0.0  0.72  0.37  1.0
  O  O11  1  0.0  0.0  0.91  1.0
  O  O12  1  0.51  0.14  0.37  1.0
  O  O13  1  0.51  0.86  0.28  1.0
  O  O14  1  0.0  0.28  0.28  1.0
  O  O15  1  0.49  0.86  0.28  1.0

data_Li4Mn3FeO8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.96
_cell_angle_alpha   60.18
_cell_angle_beta   60.18
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn3FeO8
_chemical_formula_sum   'Li4 Mn3 Fe1 O8'
_cell_volume   148.69
_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  0.0  1.0
  Li  Li1  1  0.29  0.12  0.59  1.0
  Li  Li2  1  0.86  0.12  0.51  1.0
  Li  Li3  1  0.86  0.12  0.54  1.0
  Mn  Mn4  1  0.14  0.56  0.81  1.0
  Mn  Mn5  1  0.14  0.56  0.78  1.0
  Mn  Mn6  1  0.71  0.56  0.73  1.0
  Fe  Fe7  1  0.0  0.68  0.32  1.0
  O  O8  1  0.0  0.09  0.91  1.0
  O  O9  1  0.0  0.26  0.74  1.0
  O  O10  1  0.14  0.72  0.62  1.0
  O  O11  1  0.14  0.72  0.65  1.0
  O  O12  1  0.28  0.63  0.09  1.0
  O  O13  1  0.72  0.72  0.56  1.0
  O  O14  1  0.86  0.63  0.02  1.0
  O  O15  1  0.86  0.63  1.0  1.0

Li Li Li Li Mn Mn Mn Fe O O O O O O O O