data_CoOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   3.86
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   92.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOsSe2
_chemical_formula_sum   'Co1 Os1 Se2'
_cell_volume   67.14
_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
  Os  Os1  1  0.92  0.0  0.16  1.0
  Se  Se2  1  0.84  0.93  0.95  1.0
  Se  Se3  1  0.0  0.93  0.38  1.0

data_CoOsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.02
_cell_length_c   4.33
_cell_angle_alpha   92.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoOsSe2
_chemical_formula_sum   'Co1 Os1 Se2'
_cell_volume   67.14
_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
  Os  Os1  1  0.0  0.08  0.84  1.0
  Se  Se2  1  0.07  0.16  0.05  1.0
  Se  Se3  1  0.07  1.0  0.62  1.0

Co Os Se Se