data_AsOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsOsCl2
_chemical_formula_sum   'As1 Os1 Cl2'
_cell_volume   83.99
_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
  As  As0  1  0.0  0.0  0.54  1.0
  Os  Os3  1  0.6  0.0  0.29  1.0
  Cl  Cl1  1  0.6  0.0  0.45  1.0
  Cl  Cl2  1  0.0  0.0  0.2  1.0

data_AsOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.33
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsOsCl2
_chemical_formula_sum   'As1 Os1 Cl2'
_cell_volume   83.99
_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
  As  As0  1  0.0  0.0  0.54  1.0
  Os  Os1  1  0.0  0.6  0.29  1.0
  Cl  Cl2  1  0.0  0.0  0.2  1.0
  Cl  Cl3  1  0.0  0.6  0.45  1.0

As Os Cl Cl
As Os Cl Cl 0 2 - o o 1 3 + o o 1 2 o o o 