data_BaCo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.42
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo2Os
_chemical_formula_sum   'Ba1 Co2 Os1'
_cell_volume   72.06
_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  0.0  0.0  1.0
  Co  Co1  1  0.44  0.71  0.48  1.0
  Co  Co2  1  0.44  0.71  0.85  1.0
  Os  Os3  1  0.0  0.0  0.66  1.0

data_BaCo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.42
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo2Os
_chemical_formula_sum   'Ba1 Co2 Os1'
_cell_volume   72.06
_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  0.0  0.0  1.0
  Co  Co1  1  0.44  0.71  0.48  1.0
  Co  Co2  1  0.44  0.71  0.85  1.0
  Os  Os3  1  0.0  0.0  0.66  1.0

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