data_BaNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   3.62
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiOs2
_chemical_formula_sum   'Ba1 Ni1 Os2'
_cell_volume   78.12
_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  0.45  0.81  0.79  1.0
  Ni  Ni1  1  0.0  0.0  0.15  1.0
  Os  Os2  1  0.45  0.81  0.05  1.0
  Os  Os3  1  0.0  0.0  0.2  1.0

data_BaNiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.62
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiOs2
_chemical_formula_sum   'Ba1 Ni1 Os2'
_cell_volume   78.12
_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  0.45  0.81  0.79  1.0
  Ni  Ni1  1  0.0  0.0  0.15  1.0
  Os  Os2  1  0.0  0.0  0.2  1.0
  Os  Os3  1  0.45  0.81  0.05  1.0

Ba Ni Os Os