data_[K4Nd4Cu4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0615]
_cell_length_b [3.9463]
_cell_length_c [7.4347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNdCuO3]
_chemical_formula_sum '[K4 Nd4 Cu4 O12]'
_cell_volume [369.8213]
_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
[
  K  K0  4  0.1422  0.5000  0.0635  1
  Nd  Nd1  4  0.1493  0.5000  0.5787  1
  Cu  Cu2  4  0.0075  0.0000  0.2881  1
  O  O3  4  0.0069  0.5000  0.2968  1
  O  O4  4  0.1460  0.0000  0.7730  1
  O  O5  4  0.1633  0.0000  0.3669  1
]