# generated using pymatgen
data_TiMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.20861305
_cell_length_b   3.10237790
_cell_length_c   6.35002725
_cell_angle_alpha   115.92113767
_cell_angle_beta   146.40038567
_cell_angle_gamma   63.89917404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnO3
_chemical_formula_sum   'Ti2 Mn2 O6'
_cell_volume   98.92665674
_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  0.23404600  0.31545800  0.64761200  1.0
  Ti  Ti1  1  0.76595400  0.68454200  0.35238800  1.0
  Mn  Mn2  1  0.63318400  0.67777300  0.69649200  1.0
  Mn  Mn3  1  0.36681600  0.32222700  0.30350800  1.0
  O  O4  1  0.22310300  0.61811300  0.40695500  1.0
  O  O5  1  0.41222900  0.90721600  0.03691100  1.0
  O  O6  1  0.88962400  0.40421200  0.17822700  1.0
  O  O7  1  0.77689700  0.38188700  0.59304500  1.0
  O  O8  1  0.58777100  0.09278400  0.96308900  1.0
  O  O9  1  0.11037600  0.59578800  0.82177300  1.0