data_Ag2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2RuW
_chemical_formula_sum   'Ag2 Ru1 W1'
_cell_volume   63.72
_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
  Ag  Ag0  1  0.36  0.36  0.46  1.0
  Ag  Ag1  1  0.36  0.36  0.09  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.28  1.0

data_Ag2RuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2RuW
_chemical_formula_sum   'Ag4 Ru2 W2'
_cell_volume   127.45
_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
  Ag  Ag0  2  0.36  0.0  0.09  1.0
  Ag  Ag1  2  0.36  0.0  0.46  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.28  1.0

Ag Ag Ru W
Ag Ag Ru W 0 3 o o o 0 3 o + o 0 3 + o o 0 0 + o o 0 0 o + o 1 2 o o o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o o 3 3 + o o 3 3 o + o 