data_[K12Y4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4604]
_cell_length_b [12.1588]
_cell_length_c [7.0212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3YO3]
_chemical_formula_sum '[K12 Y4 O12]'
_cell_volume [632.0944]
_cell_formula_units_Z [4]
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  0.0000  0.2107  0.5000  1.0
  K  K1  4  0.0000  0.2592  0.0000  1.0
  K  K2  4  0.1373  0.5000  0.3645  1.0
  Y  Y3  4  0.1844  0.0000  0.1478  1.0
  O  O4  8  0.1803  0.3578  0.7312  1.0
  O  O5  4  0.1054  0.0000  0.8340  1.0
]