data_ZnCoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoOs2
_chemical_formula_sum   'Zn1 Co1 Os2'
_cell_volume   55.43
_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
  Zn  Zn3  1  0.38  0.0  0.3  1.0
  Co  Co0  1  0.0  0.0  0.22  1.0
  Os  Os1  1  0.38  0.0  0.1  1.0
  Os  Os2  1  0.0  0.0  0.61  1.0

data_ZnCoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoOs2
_chemical_formula_sum   'Zn1 Co1 Os2'
_cell_volume   55.43
_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
  Zn  Zn0  1  0.38  0.0  0.3  1.0
  Co  Co1  1  0.0  0.0  0.22  1.0
  Os  Os2  1  0.0  0.0  0.61  1.0
  Os  Os3  1  0.38  0.0  0.1  1.0

Zn Co Os Os
Zn Co Os Os 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 3 3 + + o 3 3 o + o 3 3 + o o 