data_[K6P2H2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3339]
_cell_length_b [6.6600]
_cell_length_c [7.8292]
_cell_angle_alpha [79.1352]
_cell_angle_beta [82.1689]
_cell_angle_gamma [68.5705]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3PH]
_chemical_formula_sum '[K6 P2 H2]'
_cell_volume [301.1038]
_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  2  0.0845  0.9635  0.7382  1.0
  K  K1  2  0.2917  0.4814  0.3765  1.0
  K  K2  2  0.3210  0.2814  0.9674  1.0
  P  P3  2  0.4274  0.9587  0.3863  1.0
  H  H4  2  0.1513  0.6870  0.0551  1.0
]