data_RuWCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   144.2
_cell_angle_beta   130.21
_cell_angle_gamma   62.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuWCl
_chemical_formula_sum   'Ru1 W1 Cl1'
_cell_volume   45.69
_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  Ru1  1  0.0  0.0  0.37  1.0
  W  W2  1  0.0  0.0  0.61  1.0
  Cl  Cl0  1  0.0  0.0  0.03  1.0

data_RuWCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.95
_cell_length_c   4.69
_cell_angle_alpha   114.89
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuWCl
_chemical_formula_sum   'Ru1 W1 Cl1'
_cell_volume   45.69
_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  0.63  0.63  0.63  1.0
  W  W1  1  0.39  0.39  0.39  1.0
  Cl  Cl2  1  0.97  0.97  0.97  1.0

Ru W Cl