data_KYW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   4.16
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYW2
_chemical_formula_sum   'K1 Y1 W2'
_cell_volume   83.8
_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  Y3  1  0.87  0.08  0.0  1.0
  W  W1  1  0.0  0.08  0.69  1.0
  W  W2  1  0.87  0.0  0.69  1.0

data_KYW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.16
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYW2
_chemical_formula_sum   'K1 Y1 W2'
_cell_volume   83.8
_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  0.87  0.08  0.0  1.0
  W  W2  1  0.0  0.08  0.69  1.0
  W  W3  1  0.87  0.0  0.69  1.0

K Y W W
K Y W W 0 1 - o o 2 3 - o o 