data_Ru2SeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   142.11
_cell_angle_beta   142.11
_cell_angle_gamma   54.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2SeCl2
_chemical_formula_sum   'Ru2 Se1 Cl2'
_cell_volume   90.79
_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  0.0  0.0  0.67  1.0
  Ru  Ru3  1  0.0  0.0  0.41  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.02  0.77  1.0
  Cl  Cl1  1  0.02  0.0  0.77  1.0

data_Ru2SeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   117.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ru2SeCl2
_chemical_formula_sum   'Ru4 Se2 Cl4'
_cell_volume   181.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.33  1.0
  Ru  Ru1  2  0.0  0.0  0.59  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0
  Cl  Cl3  4  0.01  0.01  0.25  1.0

Ru Ru Se Cl Cl