# generated using pymatgen
data_Li4Ti5Mn3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06256181
_cell_length_b   6.06256181
_cell_length_c   9.65841064
_cell_angle_alpha   88.25377989
_cell_angle_beta   88.25377989
_cell_angle_gamma   58.17096526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti5Mn3O16
_chemical_formula_sum   'Li4 Ti5 Mn3 O16'
_cell_volume   301.42647615
_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  0.65538000  0.65538000  0.10037300  1
  Li  Li1  1  0.99814000  0.99814000  0.00857100  1
  Li  Li2  1  0.00729400  0.00729400  0.50630700  1
  Li  Li3  1  0.33516200  0.33516200  0.59945100  1
  Ti  Ti4  1  0.17362400  0.17362400  0.26710100  1
  Ti  Ti5  1  0.34984900  0.84339700  0.77813200  1
  Ti  Ti6  1  0.66472800  0.66472800  0.50012500  1
  Ti  Ti7  1  0.84339700  0.34984900  0.77813200  1
  Ti  Ti8  1  0.33980400  0.33980400  0.00249500  1
  Mn  Mn9  1  0.83378900  0.83378900  0.79251700  1
  Mn  Mn10  1  0.16651300  0.65942600  0.29069800  1
  Mn  Mn11  1  0.65942600  0.16651300  0.29069800  1
  O  O12  1  0.34991900  0.83909200  0.40883800  1
  O  O13  1  0.52277700  0.52277700  0.66282300  1
  O  O14  1  0.65101600  0.65101600  0.89502800  1
  O  O15  1  0.01008300  0.01008300  0.69551000  1
  O  O16  1  0.99922600  0.99922600  0.19960600  1
  O  O17  1  0.83909200  0.34991900  0.40883800  1
  O  O18  1  0.50154200  0.96381500  0.65626100  1
  O  O19  1  0.96381500  0.50154200  0.65626100  1
  O  O20  1  0.16676600  0.16676600  0.89813100  1
  O  O21  1  0.83886100  0.83886100  0.41109800  1
  O  O22  1  0.02532300  0.46388900  0.15439100  1
  O  O23  1  0.46388900  0.02532300  0.15439100  1
  O  O24  1  0.32816800  0.32816800  0.38877700  1
  O  O25  1  0.18249000  0.65985700  0.91357500  1
  O  O26  1  0.46974900  0.46974900  0.16045500  1
  O  O27  1  0.65985700  0.18249000  0.91357500  1
