data_[K1Al9Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.9695]
_cell_length_b [7.9695]
_cell_length_c [3.9568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [KAl9Ni2]
_chemical_formula_sum '[K1 Al9 Ni2]'
_cell_volume [217.6424]
_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  1  0.0000  0.0000  0.0000  1.0
  Al  Al1  6  0.2126  0.7874  0.5000  1.0
  Al  Al2  3  0.0000  0.5000  0.0000  1.0
  Ni  Ni3  2  0.3333  0.6667  0.0000  1.0
]