data_[K16P4H2]
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 [C2/m]
_cell_length_a [19.7519]
_cell_length_b [5.0794]
_cell_length_c [9.0575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8P2H]
_chemical_formula_sum '[K16 P4 H2]'
_cell_volume [907.6830]
_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  4  0.0317  0.0000  0.8199  1.0
  K  K1  4  0.1141  0.5000  0.5675  1.0
  K  K2  4  0.1762  0.5000  0.9850  1.0
  K  K3  4  0.2119  0.0000  0.3497  1.0
  P  P4  4  0.1902  0.0000  0.7365  1.0
  H  H5  2  0.0000  0.5000  0.0000  1.0
]