# generated using pymatgen
data_Ba6ScTc5O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81972220
_cell_length_b   5.81972290
_cell_length_c   14.02587839
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999046
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6ScTc5O18
_chemical_formula_sum   'Ba6 Sc1 Tc5 O18'
_cell_volume   411.40096264
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.66666700  0.33333300  0.59118863  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.40881137  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.90936292  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.24890629  1.0
  Ba  Ba4  1  0.33333300  0.66666700  0.09063708  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.75109371  1.0
  Sc  Sc6  1  0.00000000  0.00000000  0.50000000  1.0
  Tc  Tc7  1  0.33333300  0.66666700  0.66367220  1.0
  Tc  Tc8  1  0.66666700  0.33333300  0.16045367  1.0
  Tc  Tc9  1  0.33333300  0.66666700  0.83954633  1.0
  Tc  Tc10  1  0.66666700  0.33333300  0.33632780  1.0
  Tc  Tc11  1  0.00000000  0.00000000  0.00000000  1.0
  O  O12  1  0.82817773  0.17182227  0.41408015  1.0
  O  O13  1  0.83420660  0.66841420  0.08108354  1.0
  O  O14  1  0.65635646  0.82817773  0.58591985  1.0
  O  O15  1  0.83420660  0.16579340  0.08108354  1.0
  O  O16  1  0.16579340  0.33158580  0.91891646  1.0
  O  O17  1  0.82817773  0.65635646  0.41408015  1.0
  O  O18  1  0.50806859  0.49193141  0.24712698  1.0
  O  O19  1  0.34364354  0.17182227  0.41408015  1.0
  O  O20  1  0.16579340  0.83420660  0.91891646  1.0
  O  O21  1  0.50806859  0.01613718  0.24712698  1.0
  O  O22  1  0.17182227  0.82817773  0.58591985  1.0
  O  O23  1  0.49193141  0.98386282  0.75287302  1.0
  O  O24  1  0.01613718  0.50806859  0.75287302  1.0
  O  O25  1  0.49193141  0.50806859  0.75287302  1.0
  O  O26  1  0.17182227  0.34364354  0.58591985  1.0
  O  O27  1  0.66841420  0.83420660  0.91891646  1.0
  O  O28  1  0.98386282  0.49193141  0.24712698  1.0
  O  O29  1  0.33158580  0.16579340  0.08108354  1.0