# generated using pymatgen
data_Ti3Be2PdO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79741125
_cell_length_b   7.79778088
_cell_length_c   7.79762469
_cell_angle_alpha   60.00446954
_cell_angle_beta   60.00160811
_cell_angle_gamma   60.00203645
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Be2PdO
_chemical_formula_sum   'Ti12 Be8 Pd4 O4'
_cell_volume   335.27056625
_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  0.68893482  0.31108632  0.68893023  1.0
  Ti  Ti1  1  0.93892732  0.56106621  0.56106448  1.0
  Ti  Ti2  1  0.56106722  0.93892897  0.93893639  1.0
  Ti  Ti3  1  0.93894140  0.56106895  0.93892671  1.0
  Ti  Ti4  1  0.56106292  0.56106905  0.93891889  1.0
  Ti  Ti5  1  0.93894421  0.93892190  0.56106910  1.0
  Ti  Ti6  1  0.68893708  0.68893095  0.31108111  1.0
  Ti  Ti7  1  0.31107268  0.68893379  0.68893552  1.0
  Ti  Ti8  1  0.68893278  0.31107103  0.31106361  1.0
  Ti  Ti9  1  0.31105579  0.31107810  0.68893090  1.0
  Ti  Ti10  1  0.56106518  0.93891368  0.56106977  1.0
  Ti  Ti11  1  0.31105860  0.68893105  0.31107329  1.0
  Be  Be12  1  0.33015348  0.33021060  0.33019396  1.0
  Be  Be13  1  0.24055404  0.91978931  0.91980691  1.0
  Be  Be14  1  0.91981336  0.24058996  0.91977928  1.0
  Be  Be15  1  0.91982298  0.91977199  0.24057863  1.0
  Be  Be16  1  0.33018664  0.00941004  0.33022072  1.0
  Be  Be17  1  0.33017702  0.33022801  0.00942137  1.0
  Be  Be18  1  0.00944596  0.33021069  0.33019309  1.0
  Be  Be19  1  0.91984652  0.91978940  0.91980604  1.0
  Pd  Pd20  1  0.12500000  0.12500000  0.12500000  1.0
  Pd  Pd21  1  0.62500000  0.12500000  0.12500000  1.0
  Pd  Pd22  1  0.12500000  0.62500000  0.12500000  1.0
  Pd  Pd23  1  0.12500000  0.12500000  0.62500000  1.0
  O  O24  1  0.62500000  0.62500000  0.62500000  1.0
  O  O25  1  0.12500000  0.62500000  0.62500000  1.0
  O  O26  1  0.62500000  0.12500000  0.62500000  1.0
  O  O27  1  0.62500000  0.62500000  0.12500000  1.0