# generated using pymatgen
data_Ba3FeTc2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78793681
_cell_length_b   5.78793701
_cell_length_c   13.95843418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3FeTc2O9
_chemical_formula_sum   'Ba6 Fe2 Tc4 O18'
_cell_volume   404.96262352
_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  0.66666700  0.33333300  0.58906178  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.41093822  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.91093822  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.25000000  1.0
  Ba  Ba4  1  0.33333300  0.66666700  0.08906178  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.75000000  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc8  1  0.33333300  0.66666700  0.66032978  1.0
  Tc  Tc9  1  0.66666700  0.33333300  0.16032978  1.0
  Tc  Tc10  1  0.33333300  0.66666700  0.83967022  1.0
  Tc  Tc11  1  0.66666700  0.33333300  0.33967022  1.0
  O  O12  1  0.83079997  0.16920003  0.41726629  1.0
  O  O13  1  0.83079997  0.66160094  0.08273371  1.0
  O  O14  1  0.66160094  0.83079997  0.58273371  1.0
  O  O15  1  0.83079997  0.16920003  0.08273371  1.0
  O  O16  1  0.16920003  0.33839906  0.91726629  1.0
  O  O17  1  0.83079997  0.66160094  0.41726629  1.0
  O  O18  1  0.50887361  0.49112639  0.25000000  1.0
  O  O19  1  0.33839906  0.16920003  0.41726629  1.0
  O  O20  1  0.16920003  0.83079997  0.91726629  1.0
  O  O21  1  0.50887361  0.01774621  0.25000000  1.0
  O  O22  1  0.16920003  0.83079997  0.58273371  1.0
  O  O23  1  0.49112639  0.98225379  0.75000000  1.0
  O  O24  1  0.01774621  0.50887361  0.75000000  1.0
  O  O25  1  0.49112639  0.50887361  0.75000000  1.0
  O  O26  1  0.16920003  0.33839906  0.58273371  1.0
  O  O27  1  0.66160094  0.83079997  0.91726629  1.0
  O  O28  1  0.98225379  0.49112639  0.25000000  1.0
  O  O29  1  0.33839906  0.16920003  0.08273371  1.0