# generated using pymatgen
data_LuFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96201645
_cell_length_b   5.96201986
_cell_length_c   11.58159389
_cell_angle_alpha   89.99848150
_cell_angle_beta   89.99847915
_cell_angle_gamma   119.99588449
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuFeO3
_chemical_formula_sum   'Lu6 Fe6 O18'
_cell_volume   356.53614196
_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
  Lu  Lu0  1  -0.00014023  -0.00014154  0.22357232  1.0
  Lu  Lu1  1  0.00022269  0.00022474  0.72331725  1.0
  Lu  Lu2  1  0.66644927  0.33313941  0.26772162  1.0
  Lu  Lu3  1  0.33314087  0.66644753  0.26772152  1.0
  Lu  Lu4  1  0.33355366  0.66683920  0.76755112  1.0
  Lu  Lu5  1  0.66683636  0.33355599  0.76755095  1.0
  Fe  Fe6  1  0.66600260  -0.00003881  0.49918650  1.0
  Fe  Fe7  1  0.33394634  0.33394454  0.49916769  1.0
  Fe  Fe8  1  -0.00003711  0.66600162  0.49918685  1.0
  Fe  Fe9  1  0.33385304  0.99997732  0.99903839  1.0
  Fe  Fe10  1  0.66624548  0.66624559  0.99907340  1.0
  Fe  Fe11  1  0.99997736  0.33385352  0.99903890  1.0
  O  O12  1  0.69607436  -0.00021274  0.33190177  1.0
  O  O13  1  0.30350917  0.30350897  0.33189644  1.0
  O  O14  1  -0.00021085  0.69607279  0.33190224  1.0
  O  O15  1  0.30363053  0.00020451  0.83172837  1.0
  O  O16  1  0.69678720  0.69678917  0.83171525  1.0
  O  O17  1  0.00020454  0.30363362  0.83172891  1.0
  O  O18  1  0.36324150  0.99979373  0.16370309  1.0
  O  O19  1  0.63637020  0.63636846  0.16371542  1.0
  O  O20  1  0.99979410  0.36324058  0.16370339  1.0
  O  O21  1  0.63667933  0.00017403  0.66369712  1.0
  O  O22  1  0.36365604  0.36365727  0.66365198  1.0
  O  O23  1  0.00017097  0.63667944  0.66369729  1.0
  O  O24  1  0.00003688  0.00003700  0.02587136  1.0
  O  O25  1  0.00011957  0.00011926  0.52561337  1.0
  O  O26  1  0.66657271  0.33326069  0.47544937  1.0
  O  O27  1  0.33326325  0.66657337  0.47544923  1.0
  O  O28  1  0.33339406  0.66665682  0.97520994  1.0
  O  O29  1  0.66665411  0.33339489  0.97520896  1.0