data_ZrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   7.68
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs2
_chemical_formula_sum   'Zr2 Os4'
_cell_volume   97.2
_cell_formula_units_Z   2
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  Zr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.43  0.84  0.21  1.0
  Os  Os0  1  0.54  0.6  0.0  1.0
  Os  Os1  1  0.89  0.44  0.21  1.0
  Os  Os2  1  0.97  0.24  0.21  1.0
  Os  Os3  1  0.32  0.08  0.0  1.0

data_ZrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.43
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs2
_chemical_formula_sum   'Zr2 Os4'
_cell_volume   97.2
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Zr  Zr1  1  0.57  0.79  0.16  1.0
  Os  Os2  1  0.03  0.79  0.76  1.0
  Os  Os3  1  0.11  0.79  0.56  1.0
  Os  Os4  1  0.46  0.0  0.4  1.0
  Os  Os5  1  0.68  0.0  0.92  1.0

Zr Zr Os Os Os Os