data_RuBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   150.92
_cell_angle_beta   122.93
_cell_angle_gamma   65.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuBr2Cl
_chemical_formula_sum   'Ru1 Br2 Cl1'
_cell_volume   109.87
_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  Ru3  1  0.63  0.0  0.77  1.0
  Br  Br0  1  0.0  0.0  0.9  1.0
  Br  Br1  1  0.0  0.1  0.75  1.0
  Cl  Cl2  1  0.0  0.0  0.49  1.0

data_RuBr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   6.19
_cell_length_c   6.48
_cell_angle_alpha   118.54
_cell_angle_beta   104.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuBr2Cl
_chemical_formula_sum   'Ru1 Br2 Cl1'
_cell_volume   109.87
_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  0.77  0.14  1.0
  Br  Br1  1  0.0  0.9  0.9  1.0
  Br  Br2  1  0.9  0.65  0.65  1.0
  Cl  Cl3  1  0.0  0.49  0.49  1.0

Ru Br Br Cl