data_KY2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   3.95
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   101.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2As
_chemical_formula_sum   'K1 Y2 As1'
_cell_volume   145.57
_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  K1  1  0.2  0.0  0.65  1.0
  Y  Y2  1  0.4  0.97  0.49  1.0
  Y  Y3  1  0.41  0.0  0.23  1.0
  As  As0  1  0.41  0.97  0.63  1.0

data_KY2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.01
_cell_length_c   9.39
_cell_angle_alpha   101.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2As
_chemical_formula_sum   'K1 Y2 As1'
_cell_volume   145.57
_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  0.0  0.8  0.35  1.0
  Y  Y1  1  0.0  0.59  0.77  1.0
  Y  Y2  1  0.03  0.6  0.51  1.0
  As  As3  1  0.03  0.59  0.37  1.0

K Y Y As