# generated using pymatgen
data_LiTiMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08359441
_cell_length_b   6.08355890
_cell_length_c   8.32182637
_cell_angle_alpha   90.95944942
_cell_angle_beta   89.03941991
_cell_angle_gamma   93.94965088
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiMnO4
_chemical_formula_sum   'Li4 Ti4 Mn4 O16'
_cell_volume   307.17781003
_cell_formula_units_Z   4
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  0.24950800  0.99951000  0.12500400  1
  Li  Li1  1  0.74960300  0.49958100  0.62499000  1
  Li  Li2  1  0.74956700  0.99951900  0.87498800  1
  Li  Li3  1  0.24955700  0.49955100  0.37497500  1
  Ti  Ti4  1  0.49955200  0.00078000  0.49919100  1
  Ti  Ti5  1  0.99971700  0.50075500  0.99931800  1
  Ti  Ti6  1  0.75103900  0.74962900  0.25058500  1
  Ti  Ti7  1  0.25106400  0.24947800  0.75065600  1
  Mn  Mn8  1  0.24972500  0.75024200  0.74917500  1
  Mn  Mn9  1  0.50030000  0.49974400  0.00085800  1
  Mn  Mn10  1  0.74961000  0.25036600  0.24918600  1
  Mn  Mn11  1  0.00017200  0.99986700  0.50086900  1
  O  O12  1  0.53251600  0.98926200  0.26049100  1
  O  O13  1  0.03267400  0.48923200  0.76053700  1
  O  O14  1  0.73921500  0.78268800  0.48948700  1
  O  O15  1  0.23926500  0.28253600  0.98952400  1
  O  O16  1  0.26061100  0.21776500  0.51106600  1
  O  O17  1  0.76064700  0.71776200  0.01106300  1
  O  O18  1  0.46773400  0.01061400  0.73894100  1
  O  O19  1  0.96773800  0.51066000  0.23896400  1
  O  O20  1  0.73228500  0.23397500  0.48276800  1
  O  O21  1  0.23257600  0.73368900  0.98298000  1
  O  O22  1  0.98390700  0.98277100  0.26711600  1
  O  O23  1  0.48414700  0.48251800  0.76721300  1
  O  O24  1  0.26711700  0.76650700  0.51581800  1
  O  O25  1  0.76725100  0.26645400  0.01583400  1
  O  O26  1  0.01646000  0.01727300  0.73424200  1
  O  O27  1  0.51644400  0.51727200  0.23415900  1
