data_[K8P8H16O32]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.3087]
_cell_length_b [14.9563]
_cell_length_c [7.5308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KP(HO2)2]
_chemical_formula_sum '[K8 P8 H16 O32]'
_cell_volume [822.8481]
_cell_formula_units_Z [8]
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  2  0.0696  0.4346  0.8507  1
  K  K1  2  0.2138  0.9035  0.6302  1
  K  K2  2  0.3429  0.7104  0.2823  1
  K  K3  2  0.3612  0.1993  0.2263  1
  P  P4  2  0.1321  0.6871  0.7732  1
  P  P5  2  0.1727  0.1758  0.7350  1
  P  P6  2  0.2827  0.4377  0.3668  1
  P  P7  2  0.4076  0.9457  0.1462  1
  H  H8  2  0.0161  0.1089  0.4406  1
  H  H9  2  0.0216  0.2466  0.9586  1
  H  H10  2  0.0685  0.5316  0.2681  1
  H  H11  2  0.2341  0.2955  0.5636  1
  H  H12  2  0.2976  0.0443  0.9396  1
  H  H13  2  0.3329  0.5917  0.8872  1
  H  H14  2  0.4182  0.5209  0.5785  1
  H  H15  2  0.4447  0.3787  0.0722  1
  O  O16  2  0.0042  0.6084  0.6954  1
  O  O17  2  0.0103  0.7558  0.8643  1
  O  O18  2  0.0391  0.2469  0.8157  1
  O  O19  2  0.0613  0.1011  0.6411  1
  O  O20  2  0.1459  0.4804  0.2205  1
  O  O21  2  0.1784  0.3911  0.5132  1
  O  O22  2  0.2450  0.6385  0.9326  1
  O  O23  2  0.2560  0.7235  0.6347  1
  O  O24  2  0.2779  0.2302  0.5871  1
  O  O25  2  0.2785  0.9796  0.9845  1
  O  O26  2  0.2928  0.9024  0.2848  1
  O  O27  2  0.3110  0.1403  0.8730  1
  O  O28  2  0.3888  0.5230  0.4454  1
  O  O29  2  0.4120  0.3774  0.2672  1
  O  O30  2  0.4662  0.3704  0.9377  1
  O  O31  2  0.4717  0.5245  0.7877  1
]