data_Cd2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   137.47
_cell_angle_beta   137.47
_cell_angle_gamma   61.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RuW
_chemical_formula_sum   'Cd2 Ru1 W1'
_cell_volume   69.9
_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
  Cd  Cd0  1  0.0  0.95  0.3  1.0
  Cd  Cd1  1  0.95  0.0  0.3  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.61  1.0

data_Cd2RuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   120.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2RuW
_chemical_formula_sum   'Cd4 Ru2 W2'
_cell_volume   139.8
_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
  Cd  Cd0  4  0.17  0.47  0.64  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.39  0.0  0.39  1.0

Cd Cd Ru W
Cd Cd Ru W 0 1 - + o 0 2 o + o 0 3 o + o 1 2 + o o 1 3 + o o 2 3 o o - 