data_BaNaInOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaInOs
_chemical_formula_sum   'Ba1 Na1 In1 Os1'
_cell_volume   99.96
_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  0.53  0.53  0.53  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  In  In1  1  0.68  0.68  0.68  1.0
  Os  Os3  1  0.84  0.84  0.84  1.0

data_BaNaInOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaNaInOs
_chemical_formula_sum   'Ba3 Na3 In3 Os3'
_cell_volume   299.89
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.47  1.0
  Na  Na1  3  0.0  0.0  1.0  1.0
  In  In2  3  0.0  0.0  0.32  1.0
  Os  Os3  3  0.0  0.0  0.16  1.0

Ba Na In Os
Ba Na In Os 0 2 o o o 1 3 - - - 2 3 o o o 
NaBaOsIn crystallizes in the trigonal R3m space group. Na(1) is bonded in a distorted single-bond geometry to one Os(1) atom. The Na(1)-Os(1) bond length is 2.02 Å. Ba(1) is bonded to three equivalent Os(1) and one In(1) atom to form distorted BaInOs3 trigonal pyramids that share  a cornercorner with one Os(1)Ba3NaIn trigonal bipyramid and corners with six equivalent Ba(1)InOs3 trigonal pyramids. All Ba(1)-Os(1) bond lengths are 3.02 Å. The Ba(1)-In(1) bond length is 2.02 Å. Os(1) is bonded to one Na(1), three equivalent Ba(1), and one In(1) atom to form distorted OsBa3NaIn trigonal bipyramids that share corners with six equivalent Os(1)Ba3NaIn trigonal bipyramids and  a cornercorner with one Ba(1)InOs3 trigonal pyramid. The Os(1)-In(1) bond length is 2.02 Å. In(1) is bonded in a distorted linear geometry to one Ba(1) and one Os(1) atom.