data_[Nd4Co4O11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3859]
_cell_length_b [5.5522]
_cell_length_c [7.7002]
_cell_angle_alpha [90.7509]
_cell_angle_beta [91.3605]
_cell_angle_gamma [90.5873]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd4Co4O11]
_chemical_formula_sum '[Nd4 Co4 O11]'
_cell_volume [230.1643]
_cell_formula_units_Z [1]
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
[
  Nd  Nd0  1  0.4960  0.4271  0.2573  1
  Nd  Nd1  1  0.5257  0.5539  0.7321  1
  Nd  Nd2  1  0.9878  0.0660  0.7549  1
  Nd  Nd3  1  0.9927  0.9557  0.2642  1
  Co  Co4  1  0.0127  0.5038  0.5008  1
  Co  Co5  1  0.4988  0.9921  0.5006  1
  Co  Co6  1  0.5014  0.0113  0.9953  1
  Co  Co7  1  0.9897  0.5027  0.9986  1
  O  O8  1  0.0984  0.4909  0.7618  1
  O  O9  1  0.2022  0.1918  0.0516  1
  O  O10  1  0.2163  0.2053  0.4647  1
  O  O11  1  0.3019  0.7046  0.4494  1
  O  O12  1  0.4046  0.9641  0.7637  1
  O  O13  1  0.5621  0.9922  0.2364  1
  O  O14  1  0.6815  0.3120  0.9570  1
  O  O15  1  0.7109  0.2894  0.5272  1
  O  O16  1  0.7952  0.8047  0.9558  1
  O  O17  1  0.7983  0.7986  0.5435  1
  O  O18  1  0.9343  0.5268  0.2448  1
]