data_KRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   7.74
_cell_angle_alpha   96.03
_cell_angle_beta   96.03
_cell_angle_gamma   41.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRu2W
_chemical_formula_sum   'K1 Ru2 W1'
_cell_volume   91.84
_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
  Ru  Ru1  1  0.84  0.0  0.7  1.0
  Ru  Ru2  1  0.21  0.0  0.99  1.0
  W  W3  1  0.53  0.0  0.85  1.0

data_KRu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.24
_cell_length_c   7.74
_cell_angle_alpha   96.03
_cell_angle_beta   90.0
_cell_angle_gamma   110.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRu2W
_chemical_formula_sum   'K1 Ru2 W1'
_cell_volume   91.84
_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
  Ru  Ru1  1  0.0  0.16  0.3  1.0
  Ru  Ru2  1  0.0  0.79  0.01  1.0
  W  W3  1  0.0  0.47  0.15  1.0

K Ru Ru W