data_ZrOs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   133.31
_cell_angle_beta   133.31
_cell_angle_gamma   68.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs2Ru
_chemical_formula_sum   'Zr1 Os2 Ru1'
_cell_volume   63.59
_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  0.0  0.0  1.0
  Os  Os0  1  0.97  0.0  0.06  1.0
  Os  Os1  1  0.0  0.97  0.06  1.0
  Ru  Ru2  1  0.0  0.0  0.11  1.0

data_ZrOs2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   124.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrOs2Ru
_chemical_formula_sum   'Zr2 Os4 Ru2'
_cell_volume   127.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Os  Os1  4  0.43  0.48  0.91  1.0
  Ru  Ru2  2  0.39  0.5  0.89  1.0

Zr Os Os Ru