data_K2ScW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.9
_cell_length_b   10.9
_cell_length_c   10.9
_cell_angle_alpha   163.86
_cell_angle_beta   155.38
_cell_angle_gamma   29.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScW
_chemical_formula_sum   'K2 Sc1 W1'
_cell_volume   149.9
_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  0.32  0.24  1.0
  K  K1  1  0.53  0.0  0.3  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.54  1.0

data_K2ScW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.65
_cell_length_c   10.9
_cell_angle_alpha   102.31
_cell_angle_beta   98.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScW
_chemical_formula_sum   'K2 Sc1 W1'
_cell_volume   149.9
_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  0.3  0.77  1.0
  K  K1  1  0.68  0.92  0.92  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.54  0.54  1.0

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