data_[K48P48O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [16.0806]
_cell_length_b [16.0806]
_cell_length_c [16.0806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [205]
_chemical_formula_structural [KPO3]
_chemical_formula_sum '[K48 P48 O144]'
_cell_volume [4158.2374]
_cell_formula_units_Z [48]
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  24  0.0586  0.2440  0.3800  1
  K  K1  8  0.1283  0.1283  0.1283  1
  K  K2  8  0.2325  0.7325  0.7675  1
  K  K3  4  0.0000  0.0000  0.0000  1
  K  K4  4  0.0000  0.0000  0.5000  1
  P  P5  24  0.0461  0.1548  0.6721  1
  P  P6  24  0.0587  0.7256  0.4218  1
  O  O7  24  0.0035  0.6733  0.4757  1
  O  O8  24  0.0115  0.6853  0.9056  1
  O  O9  24  0.0235  0.6384  0.7560  1
  O  O10  24  0.0756  0.6445  0.0867  1
  O  O11  24  0.0925  0.6916  0.3419  1
  O  O12  24  0.0993  0.2247  0.7040  1
]