# generated using pymatgen
data_Ba6FeTc5O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78970376
_cell_length_b   5.78970288
_cell_length_c   13.95759015
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6FeTc5O18
_chemical_formula_sum   'Ba6 Fe1 Tc5 O18'
_cell_volume   405.18531387
_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  0.00000000  0.00000000  0.24735144  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.75264856  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.40848638  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.59151362  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.91154890  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.08845110  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc7  1  0.00000000  0.00000000  0.50000000  1.0
  Tc  Tc8  1  0.33333300  0.66666700  0.66143682  1.0
  Tc  Tc9  1  0.66666700  0.33333300  0.33856318  1.0
  Tc  Tc10  1  0.66666700  0.33333300  0.16082477  1.0
  Tc  Tc11  1  0.33333300  0.66666700  0.83917523  1.0
  O  O12  1  0.50804562  0.49195438  0.25126331  1.0
  O  O13  1  0.50804562  0.01608823  0.25126331  1.0
  O  O14  1  0.98391177  0.49195438  0.25126331  1.0
  O  O15  1  0.49195438  0.50804562  0.74873669  1.0
  O  O16  1  0.49195438  0.98391177  0.74873669  1.0
  O  O17  1  0.01608823  0.50804562  0.74873669  1.0
  O  O18  1  0.83403168  0.16596832  0.41853906  1.0
  O  O19  1  0.83403168  0.66806537  0.41853906  1.0
  O  O20  1  0.33193463  0.16596832  0.41853906  1.0
  O  O21  1  0.16596832  0.83403168  0.58146094  1.0
  O  O22  1  0.16596832  0.33193463  0.58146094  1.0
  O  O23  1  0.66806537  0.83403168  0.58146094  1.0
  O  O24  1  0.16889134  0.83110866  0.91686248  1.0
  O  O25  1  0.16889134  0.33778268  0.91686248  1.0
  O  O26  1  0.66221732  0.83110866  0.91686248  1.0
  O  O27  1  0.83110866  0.16889134  0.08313752  1.0
  O  O28  1  0.83110866  0.66221732  0.08313752  1.0
  O  O29  1  0.33778268  0.16889134  0.08313752  1.0