data_BaOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOsCl2
_chemical_formula_sum   'Ba1 Os1 Cl2'
_cell_volume   100.21
_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
  Ba  Ba0  1  0.0  0.0  0.05  1.0
  Os  Os3  1  0.75  0.75  0.5  1.0
  Cl  Cl1  1  0.75  0.75  0.9  1.0
  Cl  Cl2  1  0.0  0.0  0.9  1.0

data_BaOsCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaOsCl2
_chemical_formula_sum   'Ba2 Os2 Cl4'
_cell_volume   200.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.05  1.0
  Os  Os1  2  0.25  0.5  0.5  1.0
  Cl  Cl2  2  0.0  0.0  0.9  1.0
  Cl  Cl3  2  0.25  0.5  0.9  1.0

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