data_[Lu6Fe6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [5.9622]
_cell_length_b [5.9622]
_cell_length_c [11.6098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [LuFeO3]
_chemical_formula_sum '[Lu6 Fe6 O18]'
_cell_volume [357.4155]
_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  4  0.3333  0.6667  0.2274  1
  Lu  Lu1  2  0.0000  0.0000  0.2719  1
  Fe  Fe2  6  0.0000  0.3341  0.9958  1
  O  O3  6  0.0000  0.3037  0.1628  1
  O  O4  6  0.0000  0.3632  0.8312  1
  O  O5  4  0.3333  0.6667  0.0185  1
  O  O6  2  0.0000  0.0000  0.4700  1
]