data_K2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.61
_cell_length_c   10.0
_cell_angle_alpha   90.0
_cell_angle_beta   97.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PW
_chemical_formula_sum   'K2 P1 W1'
_cell_volume   115.0
_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  0.06  0.0  0.67  1.0
  K  K1  1  0.8  0.81  0.74  1.0
  P  P2  1  0.64  0.0  0.96  1.0
  W  W3  1  0.12  0.81  0.49  1.0

data_K2PW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.61
_cell_length_c   10.0
_cell_angle_alpha   90.0
_cell_angle_beta   97.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PW
_chemical_formula_sum   'K2 P1 W1'
_cell_volume   115.0
_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  0.06  0.0  0.67  1.0
  K  K1  1  0.8  0.81  0.74  1.0
  P  P2  1  0.64  0.0  0.96  1.0
  W  W3  1  0.12  0.81  0.49  1.0

K K P W
K K P W 0 1 - - o 0 3 o - o 1 2 o + o 