# generated using pymatgen
data_Ti2MnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11215827
_cell_length_b   6.11334455
_cell_length_c   10.62741039
_cell_angle_alpha   90.00309080
_cell_angle_beta   73.22796552
_cell_angle_gamma   59.99588440
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnO4
_chemical_formula_sum   'Ti8 Mn4 O16'
_cell_volume   324.22817561
_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
  Ti  Ti0  1  0.50016400  0.49992200  0.99971700  1.0
  Ti  Ti1  1  0.49966200  0.00016700  0.50056500  1.0
  Ti  Ti2  1  0.50229400  0.24463300  0.25101400  1.0
  Ti  Ti3  1  0.49781300  0.75520200  0.74895600  1.0
  Ti  Ti4  1  0.50230400  0.75306000  0.25101400  1.0
  Ti  Ti5  1  0.49780000  0.24699300  0.74895400  1.0
  Ti  Ti6  1  0.99343800  0.75327000  0.25097400  1.0
  Ti  Ti7  1  0.00639600  0.24681300  0.74902600  1.0
  Mn  Mn8  1  0.12807200  0.68594300  0.55836800  1.0
  Mn  Mn9  1  0.87200300  0.31401900  0.44149200  1.0
  Mn  Mn10  1  0.12326700  0.18833700  0.06611500  1.0
  Mn  Mn11  1  0.87673700  0.81167000  0.93385400  1.0
  O  O12  1  0.74092400  0.87953400  0.13814700  1.0
  O  O13  1  0.73630400  0.38184800  0.64520500  1.0
  O  O14  1  0.26305700  0.39423200  0.13117100  1.0
  O  O15  1  0.25960300  0.89043600  0.63063300  1.0
  O  O16  1  0.26379300  0.61810100  0.35471400  1.0
  O  O17  1  0.25916600  0.12041900  0.86170600  1.0
  O  O18  1  0.28095100  0.10952000  0.36942800  1.0
  O  O19  1  0.28746000  0.60627500  0.86897500  1.0
  O  O20  1  0.74005700  0.65052000  0.36946600  1.0
  O  O21  1  0.73707200  0.15712800  0.86878800  1.0
  O  O22  1  0.26306000  0.84267600  0.13118200  1.0
  O  O23  1  0.25961100  0.34994900  0.63063300  1.0
  O  O24  1  0.74006500  0.10942400  0.36946600  1.0
  O  O25  1  0.73708400  0.60583800  0.86880300  1.0
  O  O26  1  0.71237500  0.39380300  0.13099200  1.0
  O  O27  1  0.71946800  0.89026900  0.63063900  1.0