# generated using pymatgen
data_TmFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00966129
_cell_length_b   6.00967199
_cell_length_c   11.61692875
_cell_angle_alpha   89.99988475
_cell_angle_beta   90.00013350
_cell_angle_gamma   119.99918965
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmFeO3
_chemical_formula_sum   'Tm6 Fe6 O18'
_cell_volume   363.35092316
_cell_formula_units_Z   6
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
  Tm  Tm0  1  0.66666872  0.33333400  0.73178386  1.0
  Tm  Tm1  1  0.66666622  0.33333181  0.23178125  1.0
  Tm  Tm2  1  0.00000064  -0.00000004  0.27666051  1.0
  Tm  Tm3  1  0.33333196  0.66666536  0.23178117  1.0
  Tm  Tm4  1  0.00000012  -0.00000018  0.77666737  1.0
  Tm  Tm5  1  0.33333356  0.66666720  0.73178400  1.0
  Fe  Fe6  1  0.33399471  0.99999902  0.00053147  1.0
  Fe  Fe7  1  -0.00000101  0.33399506  0.00053167  1.0
  Fe  Fe8  1  0.00000244  0.66600623  0.50052785  1.0
  Fe  Fe9  1  0.66600683  0.00000142  0.50052774  1.0
  Fe  Fe10  1  0.66599657  0.66599666  0.00053264  1.0
  Fe  Fe11  1  0.33400424  0.33400331  0.50052908  1.0
  O  O12  1  0.00000234  0.36292252  0.83663819  1.0
  O  O13  1  0.30382242  0.30382229  0.66678560  1.0
  O  O14  1  0.66666708  0.33333251  0.02346534  1.0
  O  O15  1  -0.00000111  0.69617683  0.66678401  1.0
  O  O16  1  0.66666867  0.33333371  0.52346489  1.0
  O  O17  1  0.00000200  0.00000078  0.47488831  1.0
  O  O18  1  0.36292089  0.00000146  0.83663879  1.0
  O  O19  1  0.33333378  0.66666752  0.52346491  1.0
  O  O20  1  0.30382778  0.00000123  0.16677934  1.0
  O  O21  1  0.63707608  0.99999752  0.33663291  1.0
  O  O22  1  0.63708150  0.63708079  0.83663855  1.0
  O  O23  1  0.36292070  0.36292012  0.33663301  1.0
  O  O24  1  -0.00000183  0.63707595  0.33663358  1.0
  O  O25  1  0.00000176  0.30382922  0.16678049  1.0
  O  O26  1  0.69617623  0.99999879  0.66678443  1.0
  O  O27  1  0.69617157  0.69617113  0.16678106  1.0
  O  O28  1  -0.00000828  0.00000206  0.97490261  1.0
  O  O29  1  0.33333340  0.66666771  0.02346537  1.0