data_FeRuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   153.81
_cell_angle_beta   153.81
_cell_angle_gamma   37.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRuW
_chemical_formula_sum   'Fe1 Ru1 W1'
_cell_volume   40.88
_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
  Fe  Fe0  1  0.0  0.0  0.21  1.0
  Ru  Ru1  1  0.0  0.0  0.89  1.0
  W  W2  1  0.0  0.0  0.44  1.0

data_FeRuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   108.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeRuW
_chemical_formula_sum   'Fe2 Ru2 W2'
_cell_volume   81.77
_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
  Fe  Fe0  2  0.0  0.0  0.79  1.0
  Ru  Ru1  2  0.0  0.0  0.11  1.0
  W  W2  2  0.0  0.0  0.56  1.0

Fe Ru W
Fe Ru W 0 2 o o o 0 1 o o - 