data_ReOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReOsCl2
_chemical_formula_sum   'Re1 Os1 Cl2'
_cell_volume   71.32
_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
  Re  Re3  1  0.0  0.0  0.46  1.0
  Os  Os2  1  0.42  0.0  0.64  1.0
  Cl  Cl0  1  0.42  0.0  0.44  1.0
  Cl  Cl1  1  0.0  0.0  0.69  1.0

data_ReOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.0
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReOsCl2
_chemical_formula_sum   'Re1 Os1 Cl2'
_cell_volume   71.32
_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
  Re  Re0  1  0.0  0.0  0.46  1.0
  Os  Os1  1  0.0  0.42  0.64  1.0
  Cl  Cl2  1  0.0  0.0  0.69  1.0
  Cl  Cl3  1  0.0  0.42  0.44  1.0

Re Os Cl Cl
Re Os Cl Cl 0 2 o o o 1 3 o o o 