data_[La16Co12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4866]
_cell_length_b [28.4508]
_cell_length_c [5.7454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [La4(CoO3)3]
_chemical_formula_sum '[La16 Co12 O36]'
_cell_volume [896.8406]
_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
[
  La  La0  8  0.2462  0.5493  0.9829  1
  La  La1  8  0.2487  0.6716  0.0204  1
  Co  Co2  8  0.2496  0.6095  0.5011  1
  Co  Co3  4  0.2036  0.7500  0.5598  1
  O  O4  8  0.0002  0.1191  0.2499  1
  O  O5  8  0.0045  0.1017  0.7464  1
  O  O6  8  0.2365  0.1885  0.9207  1
  O  O7  8  0.2464  0.0300  0.0675  1
  O  O8  4  0.1695  0.2500  0.3883  1
]