data_OsCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   3.65
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   112.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsCl3
_chemical_formula_sum   'Os1 Cl3'
_cell_volume   92.97
_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
  Os  Os3  1  0.35  0.0  0.0  1.0
  Cl  Cl0  1  0.09  0.83  0.88  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.37  0.83  0.53  1.0

data_OsCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.71
_cell_length_c   5.85
_cell_angle_alpha   112.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsCl3
_chemical_formula_sum   'Os1 Cl3'
_cell_volume   92.97
_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
  Os  Os0  1  0.0  0.65  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.17  0.63  0.47  1.0
  Cl  Cl3  1  0.17  0.91  0.12  1.0

Os Cl Cl Cl