data_KGe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2W
_chemical_formula_sum   'K1 Ge2 W1'
_cell_volume   80.7
_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  K2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.88  0.0  0.49  1.0
  Ge  Ge1  1  0.88  0.0  0.72  1.0
  W  W3  1  0.0  0.0  0.61  1.0

data_KGe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2W
_chemical_formula_sum   'K1 Ge2 W1'
_cell_volume   80.7
_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
  Ge  Ge1  1  0.88  0.0  0.49  1.0
  Ge  Ge2  1  0.88  0.0  0.72  1.0
  W  W3  1  0.0  0.0  0.61  1.0

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