[CIF]
data_BaSc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31153364
_cell_length_b   3.31153364
_cell_length_c   9.59191280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSc2Os
_chemical_formula_sum   'Ba1 Sc2 Os1'
_cell_volume   105.18736195
_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  0.00000000  0.00000000  0.00000000  1
  Os  Os1  1  0.00000000  0.00000000  4.79595640  1
  Sc  Sc2  1  1.65576682  1.65576682  6.31049737  1
  Sc  Sc3  1  1.65576682  1.65576682  3.28141543  1
[/CIF]
