# generated using pymatgen
data_Ti2MnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12073252
_cell_length_b   6.12073216
_cell_length_c   6.12073200
_cell_angle_alpha   60.00000089
_cell_angle_beta   60.00000280
_cell_angle_gamma   60.00000308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnO4
_chemical_formula_sum   'Ti4 Mn2 O8'
_cell_volume   162.14186536
_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
  Ti  Ti0  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.00000000  0.50000000  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti3  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn4  1  0.12500000  0.12500000  0.12500000  1.0
  Mn  Mn5  1  0.87500000  0.87500000  0.87500000  1.0
  O  O6  1  0.73867300  0.73867300  0.28398000  1.0
  O  O7  1  0.26132700  0.26132700  0.26132700  1.0
  O  O8  1  0.26132700  0.26132700  0.71602000  1.0
  O  O9  1  0.28398000  0.73867300  0.73867300  1.0
  O  O10  1  0.73867300  0.28398000  0.73867300  1.0
  O  O11  1  0.26132700  0.71602000  0.26132700  1.0
  O  O12  1  0.73867300  0.73867300  0.73867300  1.0
  O  O13  1  0.71602000  0.26132700  0.26132700  1.0