data_ZrSiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   143.29
_cell_angle_beta   132.27
_cell_angle_gamma   61.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiOs2
_chemical_formula_sum   'Zr1 Si1 Os2'
_cell_volume   62.2
_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  Zr3  1  0.0  0.11  0.21  1.0
  Si  Si2  1  0.0  0.0  0.34  1.0
  Os  Os0  1  0.0  0.0  0.04  1.0
  Os  Os1  1  0.64  0.0  0.38  1.0

data_ZrSiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.22
_cell_length_c   5.22
_cell_angle_alpha   113.87
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiOs2
_chemical_formula_sum   'Zr1 Si1 Os2'
_cell_volume   62.2
_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  0.79  0.9  0.9  1.0
  Si  Si1  1  0.66  0.66  0.66  1.0
  Os  Os2  1  0.26  0.62  0.26  1.0
  Os  Os3  1  0.96  0.96  0.96  1.0

Zr Si Os Os