data_[K3Y1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.7845]
_cell_length_b [6.9349]
_cell_length_c [8.2537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K3Y]
_chemical_formula_sum '[K3 Y1]'
_cell_volume [214.2526]
_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  0.1657  0.0000  0.2317  1
  K  K1  1  0.0000  0.5000  0.5000  1
  Y  Y2  1  0.5000  0.5000  0.0000  1
]