# generated using pymatgen
data_Ba3CaTc2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95624145
_cell_length_b   5.95624064
_cell_length_c   14.36904499
_cell_angle_alpha   89.75418086
_cell_angle_beta   89.75418128
_cell_angle_gamma   120.19440463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3CaTc2O9
_chemical_formula_sum   'Ba6 Ca2 Tc4 O18'
_cell_volume   440.58822320
_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
  Ba  Ba0  1  0.00060417  0.99939583  0.25000000  1.0
  Ba  Ba1  1  0.33348359  0.66648471  0.90523087  1.0
  Ba  Ba2  1  0.33351529  0.66651641  0.59476913  1.0
  Ba  Ba3  1  0.66648471  0.33348359  0.40523087  1.0
  Ba  Ba4  1  0.66651641  0.33351529  0.09476913  1.0
  Ba  Ba5  1  0.99939583  0.00060417  0.75000000  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca7  1  0.00000000  0.00000000  0.50000000  1.0
  Tc  Tc8  1  0.33044160  0.66374174  0.16347396  1.0
  Tc  Tc9  1  0.66374174  0.33044160  0.66347396  1.0
  Tc  Tc10  1  0.33625826  0.66955840  0.33652604  1.0
  Tc  Tc11  1  0.66955840  0.33625826  0.83652604  1.0
  O  O12  1  0.98089727  0.48960179  0.75054422  1.0
  O  O13  1  0.17923791  0.82187936  0.09217593  1.0
  O  O14  1  0.82187936  0.17923791  0.59217593  1.0
  O  O15  1  0.82282181  0.64576949  0.90759908  1.0
  O  O16  1  0.01910273  0.51039821  0.24945578  1.0
  O  O17  1  0.17717819  0.35423051  0.09240092  1.0
  O  O18  1  0.48960179  0.98089727  0.25054422  1.0
  O  O19  1  0.18142085  0.36458973  0.40886973  1.0
  O  O20  1  0.50900716  0.49099284  0.75000000  1.0
  O  O21  1  0.63541027  0.81857915  0.09113027  1.0
  O  O22  1  0.64576949  0.82282181  0.40759908  1.0
  O  O23  1  0.82076209  0.17812064  0.90782407  1.0
  O  O24  1  0.51039821  0.01910273  0.74945578  1.0
  O  O25  1  0.36458973  0.18142085  0.90886973  1.0
  O  O26  1  0.81857915  0.63541027  0.59113027  1.0
  O  O27  1  0.35423051  0.17717819  0.59240092  1.0
  O  O28  1  0.17812064  0.82076209  0.40782407  1.0
  O  O29  1  0.49099284  0.50900716  0.25000000  1.0