data_AsOs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.32
_cell_angle_alpha   101.09
_cell_angle_beta   101.09
_cell_angle_gamma   40.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsOs2Cl
_chemical_formula_sum   'As1 Os2 Cl1'
_cell_volume   62.16
_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  0.48  0.0  0.6  1.0
  Os  Os2  1  0.16  0.0  0.74  1.0
  Os  Os3  1  0.79  0.0  0.46  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_AsOs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.29
_cell_length_c   5.32
_cell_angle_alpha   101.09
_cell_angle_beta   90.0
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsOs2Cl
_chemical_formula_sum   'As1 Os2 Cl1'
_cell_volume   62.16
_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  0.52  0.4  1.0
  Os  Os1  1  0.0  0.21  0.54  1.0
  Os  Os2  1  0.0  0.84  0.26  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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