data_K2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   122.25
_cell_angle_beta   118.4
_cell_angle_gamma   89.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2WBr
_chemical_formula_sum   'K2 W1 Br1'
_cell_volume   154.06
_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  0.09  0.21  1.0
  K  K2  1  0.91  0.0  0.07  1.0
  W  W3  1  0.0  0.0  0.28  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_K2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.82
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   61.6
_cell_angle_beta   61.12
_cell_angle_gamma   61.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2WBr
_chemical_formula_sum   'K2 W1 Br1'
_cell_volume   154.06
_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  0.16  0.91  0.93  1.0
  K  K1  1  0.21  0.0  0.87  1.0
  W  W2  1  0.28  0.0  0.72  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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