# generated using pymatgen
data_Ba3TmIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88441899
_cell_length_b   5.88441828
_cell_length_c   14.49217289
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3TmIr2O9
_chemical_formula_sum   'Ba6 Tm2 Ir4 O18'
_cell_volume   434.58153482
_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  0.40919534  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.59080466  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.90919534  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.25000000  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.09080466  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.75000000  1.0
  Tm  Tm6  1  0.00000000  0.00000000  0.50000000  1.0
  Tm  Tm7  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir8  1  0.33333300  0.66666700  0.16372202  1.0
  Ir  Ir9  1  0.66666700  0.33333300  0.83627798  1.0
  Ir  Ir10  1  0.33333300  0.66666700  0.33627798  1.0
  Ir  Ir11  1  0.66666700  0.33333300  0.66372202  1.0
  O  O12  1  0.82505085  0.65010370  0.58556992  1.0
  O  O13  1  0.82505085  0.17494915  0.91443008  1.0
  O  O14  1  0.65010370  0.82505085  0.41443008  1.0
  O  O15  1  0.50822649  0.49177351  0.75000000  1.0
  O  O16  1  0.17494915  0.34989630  0.41443008  1.0
  O  O17  1  0.34989630  0.17494915  0.58556992  1.0
  O  O18  1  0.50822649  0.01645299  0.75000000  1.0
  O  O19  1  0.17494915  0.34989630  0.08556992  1.0
  O  O20  1  0.49177351  0.98354701  0.25000000  1.0
  O  O21  1  0.65010370  0.82505085  0.08556992  1.0
  O  O22  1  0.17494915  0.82505085  0.41443008  1.0
  O  O23  1  0.34989630  0.17494915  0.91443008  1.0
  O  O24  1  0.01645299  0.50822649  0.25000000  1.0
  O  O25  1  0.49177351  0.50822649  0.25000000  1.0
  O  O26  1  0.98354701  0.49177351  0.75000000  1.0
  O  O27  1  0.82505085  0.65010370  0.91443008  1.0
  O  O28  1  0.82505085  0.17494915  0.58556992  1.0
  O  O29  1  0.17494915  0.82505085  0.08556992  1.0