data_CoBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   2.94
_cell_angle_alpha   103.98
_cell_angle_beta   103.98
_cell_angle_gamma   124.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBiOs2
_chemical_formula_sum   'Co1 Bi1 Os2'
_cell_volume   65.77
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.63  0.0  0.0  1.0
  Os  Os2  1  0.56  0.48  0.26  1.0
  Os  Os3  1  0.56  0.52  0.26  1.0

data_CoBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.52
_cell_length_c   5.61
_cell_angle_alpha   112.94
_cell_angle_beta   103.98
_cell_angle_gamma   92.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBiOs2
_chemical_formula_sum   'Co1 Bi1 Os2'
_cell_volume   65.77
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.63  1.0
  Os  Os2  1  0.74  0.48  0.04  1.0
  Os  Os3  1  0.78  0.52  0.08  1.0

Co Bi Os Os
Co Bi Os Os 0 3 - - - 0 3 o o o 0 2 - - - 0 2 o o o 0 1 - o o 2 3 o o o 