data_BaSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.36
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   97.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnOs2
_chemical_formula_sum   'Ba1 Sn1 Os2'
_cell_volume   94.68
_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  0.52  0.0  0.42  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.12  0.18  0.73  1.0
  Os  Os2  1  0.09  0.18  0.12  1.0

data_BaSnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.36
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   97.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnOs2
_chemical_formula_sum   'Ba1 Sn1 Os2'
_cell_volume   94.68
_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  0.52  0.0  0.42  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.09  0.18  0.12  1.0
  Os  Os3  1  0.12  0.18  0.73  1.0

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