data_Sr2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   32.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2OsCl
_chemical_formula_sum   'Sr2 Os1 Cl1'
_cell_volume   102.94
_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
  Sr  Sr2  1  0.64  0.0  0.53  1.0
  Sr  Sr3  1  0.0  0.0  0.65  1.0
  Os  Os1  1  0.64  0.0  0.99  1.0
  Cl  Cl0  1  0.0  0.0  0.66  1.0

data_Sr2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.28
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   106.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2OsCl
_chemical_formula_sum   'Sr2 Os1 Cl1'
_cell_volume   102.94
_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
  Sr  Sr0  1  0.35  0.0  0.35  1.0
  Sr  Sr1  1  0.47  0.64  0.47  1.0
  Os  Os2  1  0.01  0.64  0.01  1.0
  Cl  Cl3  1  0.34  0.0  0.34  1.0

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