data_[K2Hf1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9376]
_cell_length_b [3.9376]
_cell_length_c [22.0923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [K2HfP2]
_chemical_formula_sum '[K2 Hf1 P2]'
_cell_volume [296.6497]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.3395  1
  Hf  Hf1  1  0.3333  0.6667  0.5000  1
  P  P2  2  0.6667  0.3333  0.5647  1
]