data_K2PW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   5.24
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PW
_chemical_formula_sum   'K2 P1 W1'
_cell_volume   88.62
_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  0.49  0.3  0.84  1.0
  K  K1  1  0.49  0.94  0.84  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.62  0.0  1.0

data_K2PW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.24
_cell_length_b   2.98
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2PW
_chemical_formula_sum   'K2 P1 W1'
_cell_volume   88.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.3  0.5  0.84  1.0
  K  K1  1  0.94  0.5  0.84  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.62  0.0  0.0  1.0

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