data_BaOs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   4.7
_cell_angle_alpha   102.1
_cell_angle_beta   102.1
_cell_angle_gamma   32.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOs2Cl
_chemical_formula_sum   'Ba1 Os2 Cl1'
_cell_volume   112.39
_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  0.93  0.0  0.29  1.0
  Os  Os2  1  0.61  0.0  0.94  1.0
  Os  Os3  1  0.24  0.0  0.64  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_BaOs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.7
_cell_length_c   6.72
_cell_angle_alpha   102.1
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOs2Cl
_chemical_formula_sum   'Ba1 Os2 Cl1'
_cell_volume   112.39
_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  0.29  0.93  1.0
  Os  Os1  1  0.0  0.64  0.24  1.0
  Os  Os2  1  0.0  0.94  0.61  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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