# generated using pymatgen
data_TiCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45520144
_cell_length_b   5.45449087
_cell_length_c   5.45522950
_cell_angle_alpha   55.22301684
_cell_angle_beta   55.20988828
_cell_angle_gamma   55.21195340
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoO3
_chemical_formula_sum   'Ti2 Co2 O6'
_cell_volume   102.01173446
_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  0.85476907  0.85474104  0.85477863  1.0
  Ti  Ti1  1  0.14523093  0.14525896  0.14522137  1.0
  Co  Co2  1  0.64431169  0.64427227  0.64427564  1.0
  Co  Co3  1  0.35568831  0.35572773  0.35572436  1.0
  O  O4  1  0.56049215  0.94947221  0.22996564  1.0
  O  O5  1  0.23000375  0.56052129  0.94931374  1.0
  O  O6  1  0.94942316  0.22999335  0.56054945  1.0
  O  O7  1  0.43950785  0.05052779  0.77003436  1.0
  O  O8  1  0.76999625  0.43947871  0.05068626  1.0
  O  O9  1  0.05057684  0.77000665  0.43945055  1.0