# generated using pymatgen
data_BaTcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79887858
_cell_length_b   5.79887860
_cell_length_c   13.95118365
_cell_angle_alpha   89.99995685
_cell_angle_beta   90.00004413
_cell_angle_gamma   119.99994660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcO3
_chemical_formula_sum   'Ba6 Tc6 O18'
_cell_volume   406.28421878
_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
  Ba  Ba0  1  0.66666670  0.33333333  0.59114208  1.0
  Ba  Ba1  1  0.33333329  0.66666658  0.40884737  1.0
  Ba  Ba2  1  0.66666641  0.33333312  0.90889907  1.0
  Ba  Ba3  1  0.00000005  -0.00000012  0.24996266  1.0
  Ba  Ba4  1  0.33333331  0.66666672  0.09111379  1.0
  Ba  Ba5  1  -0.00000016  0.00000014  0.75003674  1.0
  Tc  Tc6  1  0.33333319  0.66666660  0.66217157  1.0
  Tc  Tc7  1  0.66666670  0.33333354  0.16211582  1.0
  Tc  Tc8  1  0.33333316  0.66666659  0.83788589  1.0
  Tc  Tc9  1  0.66666673  0.33333345  0.33782585  1.0
  Tc  Tc10  1  0.00000005  0.00000004  0.49999799  1.0
  Tc  Tc11  1  -0.00000017  -0.00000005  0.00000180  1.0
  O  O12  1  0.83427555  0.16572551  0.41814439  1.0
  O  O13  1  0.83428088  0.66856328  0.08181399  1.0
  O  O14  1  0.66854163  0.83427017  0.58184551  1.0
  O  O15  1  0.83428022  0.16572092  0.08181243  1.0
  O  O16  1  0.16572442  0.33144940  0.91819694  1.0
  O  O17  1  0.83427441  0.66855035  0.41814418  1.0
  O  O18  1  0.50742307  0.49257607  0.24995879  1.0
  O  O19  1  0.33144971  0.16572457  0.41814418  1.0
  O  O20  1  0.16572522  0.83427561  0.91819719  1.0
  O  O21  1  0.50742406  0.01484713  0.24995879  1.0
  O  O22  1  0.16572999  0.83427104  0.58184524  1.0
  O  O23  1  0.49257584  0.98515131  0.75004085  1.0
  O  O24  1  0.01484862  0.50742494  0.75004083  1.0
  O  O25  1  0.49257514  0.50742404  0.75004082  1.0
  O  O26  1  0.16572880  0.33145841  0.58184551  1.0
  O  O27  1  0.66855053  0.83427453  0.91819696  1.0
  O  O28  1  0.98515294  0.49257680  0.24995878  1.0
  O  O29  1  0.33143671  0.16571799  0.08181398  1.0