data_[La8Co4O20]
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 [P1]
_cell_length_a [4.0946]
_cell_length_b [10.9136]
_cell_length_c [11.0849]
_cell_angle_alpha [90.0406]
_cell_angle_beta [90.5639]
_cell_angle_gamma [90.3635]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La2CoO5]
_chemical_formula_sum '[La8 Co4 O20]'
_cell_volume [495.3111]
_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  1  0.2442  0.0760  0.2149  1
  La  La1  1  0.2523  0.5761  0.2851  1
  La  La2  1  0.2529  0.1361  0.5651  1
  La  La3  1  0.2593  0.6363  0.9350  1
  La  La4  1  0.7433  0.8635  0.4351  1
  La  La5  1  0.7542  0.4243  0.7150  1
  La  La6  1  0.7557  0.3636  0.0650  1
  La  La7  1  0.7612  0.9238  0.7850  1
  Co  Co8  1  0.1937  0.2063  0.8640  1
  Co  Co9  1  0.2012  0.7069  0.6355  1
  Co  Co10  1  0.6919  0.2937  0.3645  1
  Co  Co11  1  0.8104  0.7938  0.1357  1
  O  O12  1  0.2245  0.7370  0.1298  1
  O  O13  1  0.2418  0.2026  0.0223  1
  O  O14  1  0.2424  0.9755  0.4046  1
  O  O15  1  0.2451  0.7041  0.4774  1
  O  O16  1  0.2504  0.2927  0.7255  1
  O  O17  1  0.2586  0.4752  0.0954  1
  O  O18  1  0.2594  0.5527  0.7005  1
  O  O19  1  0.2609  0.7933  0.7744  1
  O  O20  1  0.2644  0.0531  0.7999  1
  O  O21  1  0.2739  0.2376  0.3703  1
  O  O22  1  0.7361  0.9469  0.1993  1
  O  O23  1  0.7422  0.2966  0.5226  1
  O  O24  1  0.7456  0.2073  0.2257  1
  O  O25  1  0.7495  0.0240  0.5952  1
  O  O26  1  0.7510  0.7073  0.2740  1
  O  O27  1  0.7555  0.5248  0.9051  1
  O  O28  1  0.7602  0.7977  0.9776  1
  O  O29  1  0.7607  0.4474  0.3006  1
  O  O30  1  0.7775  0.2627  0.8700  1
  O  O31  1  0.7799  0.7611  0.6299  1
]