data_RuW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.44
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuW3
_chemical_formula_sum   'Ru1 W3'
_cell_volume   62.78
_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
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.03  0.22  0.84  1.0
  W  W2  1  0.91  0.0  0.56  1.0
  W  W3  1  0.8  0.22  0.29  1.0

data_RuW3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.44
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuW3
_chemical_formula_sum   'Ru1 W3'
_cell_volume   62.78
_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
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.03  0.22  0.84  1.0
  W  W2  1  0.8  0.22  0.29  1.0
  W  W3  1  0.91  0.0  0.56  1.0

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