data_ZrSiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiOs
_chemical_formula_sum   'Zr1 Si1 Os1'
_cell_volume   50.26
_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
  Zr  Zr2  1  0.0  0.74  0.26  1.0
  Si  Si1  1  0.0  0.0  0.94  1.0
  Os  Os0  1  0.5  0.87  0.2  1.0

data_ZrSiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiOs
_chemical_formula_sum   'Zr1 Si1 Os1'
_cell_volume   50.26
_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
  Zr  Zr0  1  0.0  0.74  0.26  1.0
  Si  Si1  1  0.0  0.0  0.94  1.0
  Os  Os2  1  0.5  0.87  0.2  1.0

Zr Si Os
Zr Si Os 0 2 o o o 0 1 o + - 1 2 - - + 1 2 o - + 