data_CoNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   3.69
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiOs2
_chemical_formula_sum   'Co1 Ni1 Os2'
_cell_volume   50.58
_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
  Ni  Ni1  1  0.0  0.0  0.61  1.0
  Os  Os2  1  0.31  0.85  0.92  1.0
  Os  Os3  1  0.31  0.85  0.3  1.0

data_CoNiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   3.69
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiOs2
_chemical_formula_sum   'Co1 Ni1 Os2'
_cell_volume   50.58
_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
  Ni  Ni1  1  0.0  0.0  0.61  1.0
  Os  Os2  1  0.31  0.85  0.3  1.0
  Os  Os3  1  0.31  0.85  0.92  1.0

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