data_ZnCr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   3.85
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Os
_chemical_formula_sum   'Zn1 Cr2 Os1'
_cell_volume   52.03
_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  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.32  0.92  0.34  1.0
  Cr  Cr1  1  0.32  0.92  0.79  1.0
  Os  Os2  1  0.0  0.0  0.56  1.0

data_ZnCr2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   3.85
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Os
_chemical_formula_sum   'Zn1 Cr2 Os1'
_cell_volume   52.03
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.32  0.92  0.34  1.0
  Cr  Cr2  1  0.32  0.92  0.79  1.0
  Os  Os3  1  0.0  0.0  0.56  1.0

Zn Cr Cr Os
Zn Cr Cr Os 0 2 o - - 1 3 o + o 2 3 o + o 