# generated using pymatgen
data_Li4Ti3Mn4(FeO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94015800
_cell_length_b   9.17193700
_cell_length_c   25.38956000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3Mn4(FeO9)2
_chemical_formula_sum   'Li8 Ti6 Mn8 Fe4 O36'
_cell_volume   684.67884133
_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  0.50000000  0.93102100  0.99273300  1
  Li  Li1  1  0.50000000  0.94465500  0.20856900  1
  Li  Li2  1  0.50000000  0.05534500  0.70856900  1
  Li  Li3  1  0.50000000  0.06897900  0.49273300  1
  Li  Li4  1  0.50000000  0.43068600  0.49885600  1
  Li  Li5  1  0.50000000  0.44777200  0.30868800  1
  Li  Li6  1  0.50000000  0.55222800  0.80868800  1
  Li  Li7  1  0.50000000  0.56931400  0.99885600  1
  Ti  Ti8  1  0.50000000  0.75077300  0.10526400  1
  Ti  Ti9  1  0.50000000  0.24922700  0.60526400  1
  Ti  Ti10  1  0.50000000  0.24382600  0.39392700  1
  Ti  Ti11  1  0.00000000  0.40298900  0.69446500  1
  Ti  Ti12  1  0.00000000  0.59701100  0.19446500  1
  Ti  Ti13  1  0.50000000  0.75617400  0.89392700  1
  Mn  Mn14  1  0.50000000  0.76495500  0.31256300  1
  Mn  Mn15  1  0.00000000  0.89813000  0.58660100  1
  Mn  Mn16  1  0.00000000  0.10187000  0.08660100  1
  Mn  Mn17  1  0.50000000  0.23504500  0.81256300  1
  Mn  Mn18  1  0.50000000  0.25813100  0.18606500  1
  Mn  Mn19  1  0.00000000  0.39452900  0.91382400  1
  Mn  Mn20  1  0.00000000  0.60547100  0.41382400  1
  Mn  Mn21  1  0.50000000  0.74186900  0.68606500  1
  Fe  Fe22  1  0.50000000  0.75079500  0.50028000  1
  Fe  Fe23  1  0.00000000  0.89720300  0.80365000  1
  Fe  Fe24  1  0.00000000  0.10279700  0.30365000  1
  Fe  Fe25  1  0.50000000  0.24920500  0.00028000  1
  O  O26  1  0.50000000  0.74319300  0.42050200  1
  O  O27  1  0.50000000  0.76058300  0.58078100  1
  O  O28  1  0.00000000  0.79002300  0.94261300  1
  O  O29  1  0.00000000  0.79549400  0.16136300  1
  O  O30  1  0.00000000  0.86961300  0.66105800  1
  O  O31  1  0.50000000  0.87073800  0.75351700  1
  O  O32  1  0.00000000  0.90438800  0.50856300  1
  O  O33  1  0.00000000  0.88271200  0.28593700  1
  O  O34  1  0.50000000  0.93357900  0.85998900  1
  O  O35  1  0.50000000  0.96428700  0.08731300  1
  O  O36  1  0.50000000  0.03571300  0.58731300  1
  O  O37  1  0.50000000  0.06642100  0.35998900  1
  O  O38  1  0.00000000  0.11728800  0.78593700  1
  O  O39  1  0.00000000  0.09561200  0.00856300  1
  O  O40  1  0.50000000  0.12926200  0.25351700  1
  O  O41  1  0.00000000  0.13038700  0.16105800  1
  O  O42  1  0.00000000  0.20450600  0.66136300  1
  O  O43  1  0.00000000  0.20997700  0.44261300  1
  O  O44  1  0.50000000  0.23941700  0.08078100  1
  O  O45  1  0.50000000  0.25680700  0.92050200  1
  O  O46  1  0.00000000  0.28841800  0.55917600  1
  O  O47  1  0.00000000  0.30485400  0.33999600  1
  O  O48  1  0.00000000  0.36452700  0.83852600  1
  O  O49  1  0.50000000  0.37435000  0.74235500  1
  O  O50  1  0.00000000  0.40266100  0.99162100  1
  O  O51  1  0.00000000  0.38612100  0.20633700  1
  O  O52  1  0.50000000  0.43258700  0.64144300  1
  O  O53  1  0.50000000  0.46853800  0.41364000  1
  O  O54  1  0.50000000  0.53146200  0.91364000  1
  O  O55  1  0.50000000  0.56741300  0.14144300  1
  O  O56  1  0.00000000  0.61387900  0.70633700  1
  O  O57  1  0.00000000  0.59733900  0.49162100  1
  O  O58  1  0.50000000  0.62565000  0.24235500  1
  O  O59  1  0.00000000  0.63547300  0.33852600  1
  O  O60  1  0.00000000  0.69514600  0.83999600  1
  O  O61  1  0.00000000  0.71158200  0.05917600  1
