data_KReW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KReW2
_chemical_formula_sum   'K1 Re1 W2'
_cell_volume   80.81
_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
  Re  Re1  1  0.0  0.0  0.09  1.0
  W  W2  1  0.41  0.41  0.99  1.0
  W  W3  1  0.41  0.41  0.18  1.0

data_KReW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KReW2
_chemical_formula_sum   'K2 Re2 W4'
_cell_volume   161.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.09  1.0
  W  W2  2  0.41  0.0  0.18  1.0
  W  W3  2  0.41  0.0  0.99  1.0

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