data_K3BaPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   7.85
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3BaPCO7
_chemical_formula_sum   'K6 Ba2 P2 C2 O14'
_cell_volume   467.97
_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  0.41  0.96  0.86  1.0
  K  K1  1  0.41  0.06  0.6  1.0
  K  K2  1  0.41  0.87  0.6  1.0
  K  K3  1  0.19  0.98  0.64  1.0
  K  K4  1  0.19  0.79  0.64  1.0
  K  K5  1  0.19  0.89  0.38  1.0
  Ba  Ba6  1  0.38  0.89  0.82  1.0
  Ba  Ba7  1  0.22  0.96  0.42  1.0
  P  P8  1  0.99  0.96  0.15  1.0
  P  P9  1  0.61  0.89  0.09  1.0
  C  C10  1  0.28  0.89  0.61  1.0
  C  C11  1  0.32  0.96  0.63  1.0
  O  O12  1  0.6  0.96  0.69  1.0
  O  O13  1  0.44  0.89  0.21  1.0
  O  O14  1  0.18  0.89  0.32  1.0
  O  O15  1  0.5  0.69  0.4  1.0
  O  O16  1  0.5  0.23  0.4  1.0
  O  O17  1  0.43  0.96  0.14  1.0
  O  O18  1  0.14  0.89  0.59  1.0
  O  O19  1  0.46  0.96  0.65  1.0
  O  O20  1  0.17  0.89  0.1  1.0
  O  O21  1  0.1  0.62  0.84  1.0
  O  O22  1  0.1  0.16  0.84  1.0
  O  O23  1  0.42  0.96  0.93  1.0
  O  O24  1  0.16  0.96  0.03  1.0
  O  O25  1  1.0  0.89  0.55  1.0

data_K3BaPCO7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.82
_cell_length_b   7.85
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K3BaPCO7
_chemical_formula_sum   'K6 Ba2 P2 C2 O14'
_cell_volume   467.97
_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  0.11  0.44  0.48  1.0
  K  K1  2  0.11  0.63  0.48  1.0
  K  K2  2  0.11  0.54  0.74  1.0
  Ba  Ba3  2  0.08  0.46  0.7  1.0
  P  P4  2  0.31  0.46  0.97  1.0
  C  C5  2  0.02  0.54  0.51  1.0
  O  O6  2  0.12  0.54  0.8  1.0
  O  O7  2  0.13  0.54  0.02  1.0
  O  O8  2  0.14  0.46  0.09  1.0
  O  O9  2  0.16  0.54  0.53  1.0
  O  O10  2  0.2  0.27  0.28  1.0
  O  O11  2  0.2  0.81  0.28  1.0
  O  O12  2  0.3  0.54  0.57  1.0

K K K K K K Ba Ba P P C C O O O O O O O O O O O O O O