data_[K8Nd4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4861]
_cell_length_b [11.1762]
_cell_length_c [6.7189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2NdO3]
_chemical_formula_sum '[K8 Nd4 O12]'
_cell_volume [459.2017]
_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  0.0000  0.3420  0.0000  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  4  0.0000  0.1666  0.5000  1.0
  O  O4  8  0.2371  0.1922  0.2969  1.0
  O  O5  4  0.1880  0.0000  0.7046  1.0
]