data_RuWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.73
_cell_angle_alpha   94.74
_cell_angle_beta   94.74
_cell_angle_gamma   56.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuWBr2
_chemical_formula_sum   'Ru1 W1 Br2'
_cell_volume   93.37
_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  Ru2  1  0.13  0.0  0.16  1.0
  W  W3  1  0.16  0.0  0.81  1.0
  Br  Br0  1  0.12  0.0  0.03  1.0
  Br  Br1  1  0.33  0.0  0.74  1.0

data_RuWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.59
_cell_length_c   8.73
_cell_angle_alpha   94.74
_cell_angle_beta   90.0
_cell_angle_gamma   118.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuWBr2
_chemical_formula_sum   'Ru1 W1 Br2'
_cell_volume   93.37
_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  0.87  0.84  1.0
  W  W1  1  0.0  0.84  0.19  1.0
  Br  Br2  1  0.0  0.67  0.26  1.0
  Br  Br3  1  0.0  0.88  0.97  1.0

Ru W Br Br
Ru W Br Br 0 2 o o o 1 3 o o o 