data_BaCo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.14
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo2Os
_chemical_formula_sum   'Ba1 Co2 Os1'
_cell_volume   72.61
_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  0.51  0.57  0.51  1.0
  Co  Co2  1  0.5  0.57  0.96  1.0
  Os  Os3  1  0.95  0.0  0.74  1.0

data_BaCo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.14
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo2Os
_chemical_formula_sum   'Ba1 Co2 Os1'
_cell_volume   72.61
_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  0.5  0.57  0.96  1.0
  Co  Co2  1  0.51  0.57  0.51  1.0
  Os  Os3  1  0.95  0.0  0.74  1.0

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