data_[K2Y1Sc1O4]
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
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8348]
_cell_length_b [3.3753]
_cell_length_c [6.5127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2YScO4]
_chemical_formula_sum '[K2 Y1 Sc1 O4]'
_cell_volume [122.4053]
_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  0.5000  0.5000  1.0
  K  K1  1  0.5000  0.0000  0.5000  1.0
  Y  Y2  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc3  1  0.0000  0.0000  0.0000  1.0
  O  O4  2  0.2151  0.5000  0.1804  1.0
  O  O5  2  0.2581  0.0000  0.8168  1.0
]