data_K2BaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   7.5
_cell_angle_alpha   139.53
_cell_angle_beta   139.53
_cell_angle_gamma   58.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaW
_chemical_formula_sum   'K2 Ba1 W1'
_cell_volume   176.13
_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  0.59  0.0  0.27  1.0
  K  K2  1  0.0  0.59  0.27  1.0
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.54  1.0

data_K2BaW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   119.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2BaW
_chemical_formula_sum   'K4 Ba2 W2'
_cell_volume   352.25
_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  4  0.3  0.3  0.32  1.0
  Ba  Ba1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.46  1.0

K K Ba W
K K Ba W 0 3 + o o 0 2 + o + 0 2 o o o 1 3 o + o 1 2 o o o 1 2 o + + 2 3 o o - 
K2BaW crystallizes in the monoclinic Cm space group. K(1) is bonded in a single-bond geometry to one Ba(1) and one W(1) atom. The K(1)-Ba(1) bond length is 3.19 Å. The K(1)-W(1) bond length is 2.00 Å. Ba(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent W(1) atoms. There is one shorter (3.43 Å) and one longer (4.07 Å) Ba(1)-W(1) bond length. W(1) is bonded in a distorted L-shaped geometry to two equivalent K(1) and two equivalent Ba(1) atoms.