data_K2NdPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   7.34
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   93.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NdPCO7
_chemical_formula_sum   'K4 Nd2 P2 C2 O14'
_cell_volume   427.83
_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  0.93  0.09  0.93  1.0
  K  K1  1  0.93  0.58  0.93  1.0
  K  K2  1  0.29  0.76  0.16  1.0
  K  K3  1  0.29  0.24  0.16  1.0
  Nd  Nd4  1  0.91  0.5  0.28  1.0
  Nd  Nd5  1  0.32  0.83  0.81  1.0
  P  P6  1  0.37  0.83  0.78  1.0
  P  P7  1  0.86  0.5  0.3  1.0
  C  C8  1  0.05  0.5  0.14  1.0
  C  C9  1  0.18  0.83  0.94  1.0
  O  O10  1  0.49  0.83  0.77  1.0
  O  O11  1  0.88  0.5  0.54  1.0
  O  O12  1  0.1  0.5  0.33  1.0
  O  O13  1  0.86  0.55  0.5  1.0
  O  O14  1  0.86  0.12  0.5  1.0
  O  O15  1  0.4  0.5  0.78  1.0
  O  O16  1  0.93  0.83  0.74  1.0
  O  O17  1  0.3  0.5  0.35  1.0
  O  O18  1  0.83  0.83  0.31  1.0
  O  O19  1  0.37  0.22  0.59  1.0
  O  O20  1  0.37  0.79  0.59  1.0
  O  O21  1  0.13  0.83  0.76  1.0
  O  O22  1  0.34  0.83  0.55  1.0
  O  O23  1  0.74  0.5  0.31  1.0

data_K2NdPCO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.78
_cell_length_b   7.34
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   93.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K2NdPCO7
_chemical_formula_sum   'K4 Nd2 P2 C2 O14'
_cell_volume   427.83
_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  0.18  0.08  0.11  1.0
  K  K1  2  0.18  0.59  0.11  1.0
  Nd  Nd2  2  0.2  0.67  0.76  1.0
  P  P3  2  0.25  0.67  0.74  1.0
  C  C4  2  0.07  0.67  0.9  1.0
  O  O5  2  0.01  0.67  0.72  1.0
  O  O6  2  0.18  0.33  0.31  1.0
  O  O7  2  0.23  0.67  0.51  1.0
  O  O8  2  0.25  0.05  0.55  1.0
  O  O9  2  0.25  0.62  0.55  1.0
  O  O10  2  0.29  0.33  0.74  1.0
  O  O11  2  0.37  0.67  0.73  1.0

K K K K Nd Nd P P C C O O O O O O O O O O O O O O