data_CoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOs2
_chemical_formula_sum   'Co4 Os8'
_cell_volume   181.45
_cell_formula_units_Z   4
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  0.91  0.85  1.0
  Co  Co1  1  0.0  0.91  0.29  1.0
  Co  Co2  1  0.52  0.45  0.98  1.0
  Co  Co3  1  0.52  0.45  0.42  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0
  Os  Os5  1  0.0  0.0  0.13  1.0
  Os  Os6  1  0.0  0.51  0.2  1.0
  Os  Os7  1  0.79  0.6  0.2  1.0
  Os  Os8  1  0.31  0.75  0.07  1.0
  Os  Os9  1  0.21  0.6  0.2  1.0
  Os  Os10  1  0.73  0.75  0.07  1.0
  Os  Os11  1  0.52  0.85  0.07  1.0

data_CoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOs2
_chemical_formula_sum   'Co4 Os8'
_cell_volume   181.45
_cell_formula_units_Z   4
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  0.91  0.29  1.0
  Co  Co1  1  0.0  0.91  0.85  1.0
  Co  Co2  1  0.52  0.45  0.42  1.0
  Co  Co3  1  0.52  0.45  0.98  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0
  Os  Os5  1  0.0  0.0  0.13  1.0
  Os  Os6  1  0.0  0.51  0.2  1.0
  Os  Os7  1  0.21  0.6  0.2  1.0
  Os  Os8  1  0.31  0.75  0.07  1.0
  Os  Os9  1  0.52  0.85  0.07  1.0
  Os  Os10  1  0.73  0.75  0.07  1.0
  Os  Os11  1  0.79  0.6  0.2  1.0

Co Co Co Co Os Os Os Os Os Os Os Os
Co Co Co Co Os Os Os Os Os Os Os Os 0 4 o + + 1 7 - o o 1 5 o + o 1 3 - o o 2 10 o o + 3 9 o o o 3 7 o o o 4 5 o o o 4 10 - - o 5 10 - - o 6 9 o o o 6 7 - o o 7 10 o o o 8 11 o o o 10 11 o o o 