data_[Ce4Lu4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Lu  1.2700  1.7500  1.0010
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9898]
_cell_length_b [8.3445]
_cell_length_c [5.7703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeLuO3]
_chemical_formula_sum '[Ce4 Lu4 O12]'
_cell_volume [288.4120]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  4  0.0547  0.7500  0.5131  1.0
  Lu  Lu1  4  0.0000  0.0000  0.0000  1.0
  O  O2  8  0.1891  0.0647  0.3129  1.0
  O  O3  4  0.0520  0.2500  0.8755  1.0
]