data_RuW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.14
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   95.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuW2Br
_chemical_formula_sum   'Ru1 W2 Br1'
_cell_volume   75.29
_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  0.74  0.57  0.37  1.0
  W  W2  1  0.14  0.0  0.04  1.0
  W  W3  1  0.94  0.57  0.94  1.0
  Br  Br0  1  0.82  0.0  0.84  1.0

data_RuW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.21
_cell_length_c   7.51
_cell_angle_alpha   95.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuW2Br
_chemical_formula_sum   'Ru1 W2 Br1'
_cell_volume   75.29
_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  0.43  0.26  0.63  1.0
  W  W1  1  0.0  0.86  0.96  1.0
  W  W2  1  0.43  0.06  0.06  1.0
  Br  Br3  1  0.0  0.18  0.16  1.0

Ru W W Br