data_K9Ce(PS4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.33
_cell_length_b   11.33
_cell_length_c   17.7
_cell_angle_alpha   113.08
_cell_angle_beta   113.08
_cell_angle_gamma   51.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K9Ce(PS4)4
_chemical_formula_sum   'K18 Ce2 P8 S32'
_cell_volume   1601.59
_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  K2  1  0.33  0.88  0.57  1.0
  K  K3  1  0.85  0.13  0.28  1.0
  K  K4  1  0.3  0.66  0.88  1.0
  K  K5  1  0.33  0.65  0.88  1.0
  K  K6  1  0.42  0.57  0.95  1.0
  K  K7  1  0.52  0.65  0.02  1.0
  K  K8  1  0.55  0.66  0.02  1.0
  K  K9  1  1.0  0.13  0.62  1.0
  K  K10  1  0.52  0.88  0.33  1.0
  K  K11  1  0.18  0.12  0.6  1.0
  K  K12  1  0.7  0.87  0.31  1.0
  K  K13  1  0.15  0.34  0.92  1.0
  K  K14  1  0.18  0.35  0.91  1.0
  K  K15  1  0.27  0.43  0.98  1.0
  K  K16  1  0.37  0.35  0.06  1.0
  K  K17  1  0.4  0.34  0.05  1.0
  K  K18  1  0.85  0.87  0.65  1.0
  K  K19  1  0.37  0.12  0.36  1.0
  Ce  Ce0  1  0.42  0.5  0.95  1.0
  Ce  Ce1  1  0.27  0.5  0.98  1.0
  P  P20  1  0.55  0.96  0.63  1.0
  P  P21  1  0.5  0.13  0.59  1.0
  P  P22  1  0.34  0.13  0.31  1.0
  P  P23  1  0.29  0.96  0.27  1.0
  P  P24  1  0.4  0.04  0.67  1.0
  P  P25  1  0.35  0.87  0.62  1.0
  P  P26  1  0.2  0.87  0.34  1.0
  P  P27  1  0.15  0.04  0.3  1.0
  S  S28  1  0.2  0.9  0.84  1.0
  S  S29  1  0.66  0.69  0.08  1.0
  S  S30  1  0.53  0.23  0.89  1.0
  S  S31  1  0.08  0.76  0.72  1.0
  S  S32  1  0.82  0.45  0.7  1.0
  S  S33  1  0.13  0.23  0.99  1.0
  S  S34  1  0.09  0.85  0.63  1.0
  S  S35  1  0.53  0.21  0.06  1.0
  S  S36  1  0.31  0.21  0.84  1.0
  S  S37  1  0.76  0.85  0.27  1.0
  S  S38  1  0.72  0.23  0.91  1.0
  S  S39  1  0.02  0.45  0.2  1.0
  S  S40  1  0.76  0.76  0.18  1.0
  S  S41  1  0.31  0.23  0.01  1.0
  S  S42  1  0.19  0.69  0.82  1.0
  S  S43  1  0.65  0.9  0.07  1.0
  S  S44  1  0.05  0.1  0.87  1.0
  S  S45  1  0.51  0.31  0.11  1.0
  S  S46  1  0.39  0.77  0.93  1.0
  S  S47  1  0.94  0.24  0.76  1.0
  S  S48  1  0.68  0.55  0.73  1.0
  S  S49  1  0.98  0.77  0.02  1.0
  S  S50  1  0.94  0.15  0.66  1.0
  S  S51  1  0.38  0.79  0.09  1.0
  S  S52  1  0.17  0.79  0.88  1.0
  S  S53  1  0.61  0.15  0.3  1.0
  S  S54  1  0.57  0.77  0.95  1.0
  S  S55  1  0.87  0.55  0.23  1.0
  S  S56  1  0.61  0.24  0.21  1.0
  S  S57  1  0.16  0.77  0.04  1.0
  S  S58  1  0.04  0.31  0.85  1.0
  S  S59  1  0.5  0.1  0.1  1.0

data_K9Ce(PS4)4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   9.85
_cell_length_b   11.33
_cell_length_c   16.86
_cell_angle_alpha   74.91
_cell_angle_beta   73.01
_cell_angle_gamma   64.22
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K9Ce(PS4)4
_chemical_formula_sum   'K18 Ce2 P8 S32'
_cell_volume   1601.59
_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  0.12  0.26  0.1  1.0
  K  K1  2  0.12  0.69  0.86  1.0
  K  K2  2  0.13  0.87  0.85  1.0
  K  K3  2  0.13  0.68  0.19  1.0
  K  K4  2  0.34  0.8  0.55  1.0
  K  K5  2  0.34  0.69  0.42  1.0
  K  K6  2  0.35  0.76  0.56  1.0
  K  K7  2  0.35  0.72  0.41  1.0
  K  K8  2  0.43  0.66  0.48  1.0
  Ce  Ce9  2  0.5  0.41  0.52  1.0
  P  P10  2  0.04  0.6  0.8  1.0
  P  P11  2  0.04  0.49  0.17  1.0
  P  P12  2  0.13  0.34  0.88  1.0
  P  P13  2  0.13  0.22  0.16  1.0
  S  S14  2  0.1  0.88  0.37  1.0
  S  S15  2  0.1  0.1  0.6  1.0
  S  S16  2  0.15  0.96  0.8  1.0
  S  S17  2  0.15  0.93  0.16  1.0
  S  S18  2  0.21  0.7  0.62  1.0
  S  S19  2  0.21  0.69  0.41  1.0
  S  S20  2  0.23  0.51  0.57  1.0
  S  S21  2  0.23  0.85  0.46  1.0
  S  S22  2  0.23  0.01  0.48  1.0
  S  S23  2  0.23  0.34  0.55  1.0
  S  S24  2  0.24  0.74  0.26  1.0
  S  S25  2  0.24  0.96  0.71  1.0
  S  S26  2  0.31  0.67  0.35  1.0
  S  S27  2  0.31  0.88  0.61  1.0
  S  S28  2  0.45  0.81  0.77  1.0
  S  S29  2  0.45  0.11  0.27  1.0

K K K K K K K K K K K K K K K K K K Ce Ce P P P P P P P P S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S