data_KNdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   61.25
_cell_angle_beta   61.25
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNdO3
_chemical_formula_sum   'K2 Nd2 O6'
_cell_volume   192.81
_cell_formula_units_Z   2
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  1  0.0  0.0  0.66  1.0
  K  K1  1  0.0  0.0  0.92  1.0
  Nd  Nd2  1  0.0  0.0  0.09  1.0
  Nd  Nd3  1  0.0  0.0  0.5  1.0
  O  O4  1  0.4  0.94  0.24  1.0
  O  O5  1  0.52  0.55  0.24  1.0
  O  O6  1  0.08  0.5  0.24  1.0
  O  O7  1  0.92  0.5  0.35  1.0
  O  O8  1  0.48  0.45  0.35  1.0
  O  O9  1  0.6  0.06  0.35  1.0

data_KNdO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   61.25
_cell_angle_beta   61.25
_cell_angle_gamma   61.25
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KNdO3
_chemical_formula_sum   'K2 Nd2 O6'
_cell_volume   192.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.0  0.13  1.0
  Nd  Nd1  2  0.0  0.0  0.29  1.0
  O  O2  2  0.06  0.6  0.55  1.0
  O  O3  2  0.45  0.48  0.55  1.0
  O  O4  2  0.5  0.92  0.55  1.0

K K Nd Nd O O O O O O