data_Ru2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   3.0
_cell_angle_alpha   104.91
_cell_angle_beta   104.91
_cell_angle_gamma   107.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2SeCl
_chemical_formula_sum   'Ru2 Se1 Cl1'
_cell_volume   64.95
_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  0.48  0.03  0.0  1.0
  Ru  Ru2  1  0.48  0.97  0.0  1.0
  Se  Se3  1  0.96  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ru2SeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   107.84
_cell_angle_beta   104.91
_cell_angle_gamma   104.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2SeCl
_chemical_formula_sum   'Ru2 Se1 Cl1'
_cell_volume   64.95
_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  0.48  0.03  1.0
  Ru  Ru1  1  -0.0  0.48  0.97  1.0
  Se  Se2  1  -0.0  0.96  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ru Ru Se Cl
Ru Ru Se Cl 0 1 o - o 2 3 + o o 