# generated using pymatgen
data_Ti2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01701042
_cell_length_b   6.01701042
_cell_length_c   14.92473300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnO4
_chemical_formula_sum   'Ti12 Zn6 O24'
_cell_volume   467.94919997
_cell_formula_units_Z   6
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  0.98692300  0.49346100  0.16730900  1.0
  Ti  Ti1  1  0.50653900  0.01307700  0.16730900  1.0
  Ti  Ti2  1  0.33467500  0.16733700  0.49950500  1.0
  Ti  Ti3  1  0.50653900  0.49346100  0.16730900  1.0
  Ti  Ti4  1  0.66666700  0.33333300  0.33986100  1.0
  Ti  Ti5  1  0.83266300  0.66532500  0.49950500  1.0
  Ti  Ti6  1  0.69530500  0.84765300  0.82867300  1.0
  Ti  Ti7  1  0.83266300  0.16733700  0.49950500  1.0
  Ti  Ti8  1  0.15234700  0.84765300  0.82867300  1.0
  Ti  Ti9  1  0.00000000  0.00000000  0.67137400  1.0
  Ti  Ti10  1  0.15234700  0.30469500  0.82867300  1.0
  Ti  Ti11  1  0.66666700  0.33333300  0.94980800  1.0
  Zn  Zn12  1  0.00000000  0.00000000  0.04911400  1.0
  Zn  Zn13  1  0.33333300  0.66666700  0.36951200  1.0
  Zn  Zn14  1  0.33333300  0.66666700  0.00153900  1.0
  Zn  Zn15  1  0.66666700  0.33333300  0.70133200  1.0
  Zn  Zn16  1  0.00000000  0.00000000  0.29264200  1.0
  Zn  Zn17  1  0.33333300  0.66666700  0.63089500  1.0
  O  O18  1  0.17801500  0.35603000  0.09438100  1.0
  O  O19  1  0.33333300  0.66666700  0.23850100  1.0
  O  O20  1  0.17801500  0.82198500  0.09438100  1.0
  O  O21  1  0.64397000  0.82198500  0.09438100  1.0
  O  O22  1  0.36076100  0.18038000  0.25117600  1.0
  O  O23  1  0.50938200  0.01876300  0.42031800  1.0
  O  O24  1  0.81962000  0.18038000  0.25117600  1.0
  O  O25  1  0.66666700  0.33333300  0.07844500  1.0
  O  O26  1  0.50938200  0.49061800  0.42031800  1.0
  O  O27  1  0.66666700  0.33333300  0.57163300  1.0
  O  O28  1  0.81962000  0.63923900  0.25117600  1.0
  O  O29  1  0.98123700  0.49061800  0.42031800  1.0
  O  O30  1  0.69265500  0.84632700  0.57967900  1.0
  O  O31  1  0.83929600  0.67859200  0.74818800  1.0
  O  O32  1  0.15367300  0.84632700  0.57967900  1.0
  O  O33  1  0.00000000  0.00000000  0.42658300  1.0
  O  O34  1  0.00000000  0.00000000  0.91580400  1.0
  O  O35  1  0.83929600  0.16070400  0.74818800  1.0
  O  O36  1  0.15367300  0.30734500  0.57967900  1.0
  O  O37  1  0.32140800  0.16070400  0.74818800  1.0
  O  O38  1  0.01063300  0.50531600  0.91098000  1.0
  O  O39  1  0.33333300  0.66666700  0.76346600  1.0
  O  O40  1  0.49468400  0.50531600  0.91098000  1.0
  O  O41  1  0.49468400  0.98936700  0.91098000  1.0