data_KY2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   10.24
_cell_angle_alpha   98.92
_cell_angle_beta   98.92
_cell_angle_gamma   59.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2As
_chemical_formula_sum   'K1 Y2 As1'
_cell_volume   142.58
_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  0.0  0.0  0.0  1.0
  Y  Y2  1  0.29  0.0  0.62  1.0
  Y  Y3  1  0.95  0.0  0.45  1.0
  As  As0  1  0.62  0.0  0.04  1.0

data_KY2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.06
_cell_length_c   10.24
_cell_angle_alpha   98.92
_cell_angle_beta   90.0
_cell_angle_gamma   119.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2As
_chemical_formula_sum   'K1 Y2 As1'
_cell_volume   142.58
_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  0.0  0.0  1.0
  Y  Y1  1  0.0  0.05  0.55  1.0
  Y  Y2  1  0.0  0.71  0.38  1.0
  As  As3  1  0.0  0.38  0.96  1.0

K Y Y As