# generated using pymatgen
data_Ba3TmFe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77078156
_cell_length_b   5.77078129
_cell_length_c   14.08859820
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999612
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3TmFe2O9
_chemical_formula_sum   'Ba6 Tm2 Fe4 O18'
_cell_volume   406.31951623
_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  0.33333300  0.66666700  0.40646335  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.90646335  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.59353665  1.0
  Ba  Ba3  1  0.33333300  0.66666700  0.09353665  1.0
  Ba  Ba4  1  0.00000000  0.00000000  0.75000000  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.25000000  1.0
  Tm  Tm6  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm7  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe8  1  0.66666700  0.33333300  0.34085649  1.0
  Fe  Fe9  1  0.33333300  0.66666700  0.84085649  1.0
  Fe  Fe10  1  0.66666700  0.33333300  0.15914351  1.0
  Fe  Fe11  1  0.33333300  0.66666700  0.65914351  1.0
  O  O12  1  0.82130785  0.64261469  0.41124840  1.0
  O  O13  1  0.35738531  0.17869215  0.41124840  1.0
  O  O14  1  0.82130785  0.17869215  0.41124840  1.0
  O  O15  1  0.17869215  0.82130785  0.91124840  1.0
  O  O16  1  0.17869215  0.82130785  0.58875160  1.0
  O  O17  1  0.17869215  0.35738531  0.91124840  1.0
  O  O18  1  0.64261469  0.82130785  0.91124840  1.0
  O  O19  1  0.35738531  0.17869215  0.08875160  1.0
  O  O20  1  0.82130785  0.64261469  0.08875160  1.0
  O  O21  1  0.17869215  0.35738531  0.58875160  1.0
  O  O22  1  0.64261469  0.82130785  0.58875160  1.0
  O  O23  1  0.82130785  0.17869215  0.08875160  1.0
  O  O24  1  0.52467283  0.47532717  0.25000000  1.0
  O  O25  1  0.04934566  0.52467283  0.75000000  1.0
  O  O26  1  0.47532717  0.95065434  0.75000000  1.0
  O  O27  1  0.52467283  0.04934566  0.25000000  1.0
  O  O28  1  0.95065434  0.47532717  0.25000000  1.0
  O  O29  1  0.47532717  0.52467283  0.75000000  1.0