data_CoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   3.63
_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   'Co3 Os6'
_cell_volume   121.3
_cell_formula_units_Z   3
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
  Co  Co1  1  0.0  0.58  0.82  1.0
  Co  Co2  1  0.1  0.79  0.82  1.0
  Os  Os3  1  0.21  0.37  0.82  1.0
  Os  Os4  1  0.15  0.21  0.0  1.0
  Os  Os5  1  0.58  0.0  0.82  1.0
  Os  Os6  1  0.31  0.01  0.82  1.0
  Os  Os7  1  0.7  0.0  0.0  1.0
  Os  Os8  1  0.25  0.17  0.0  1.0

data_CoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOs2
_chemical_formula_sum   'Co3 Os6'
_cell_volume   121.3
_cell_formula_units_Z   3
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
  Co  Co1  1  0.82  -0.0  0.58  1.0
  Co  Co2  1  0.82  0.1  0.79  1.0
  Os  Os3  1  -0.0  0.25  0.17  1.0
  Os  Os4  1  -0.0  0.15  0.21  1.0
  Os  Os5  1  -0.0  0.7  0.0  1.0
  Os  Os6  1  0.82  0.21  0.37  1.0
  Os  Os7  1  0.82  0.31  0.01  1.0
  Os  Os8  1  0.82  0.58  0.0  1.0

Co Co Co Os Os Os Os Os Os
Co Co Co Os Os Os Os Os Os 0 4 o o o 1 2 o o o 2 6 o + o 3 4 o o + 4 8 o o o 5 7 o o + 6 8 o o + 