data_ZrOsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   132.82
_cell_angle_beta   132.82
_cell_angle_gamma   68.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOsRu2
_chemical_formula_sum   'Zr1 Os1 Ru2'
_cell_volume   63.27
_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  0.03  1.0
  Ru  Ru1  1  0.0  0.0  0.06  1.0
  Ru  Ru2  1  0.0  0.97  0.03  1.0

data_ZrOsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   4.93
_cell_angle_alpha   113.59
_cell_angle_beta   113.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOsRu2
_chemical_formula_sum   'Zr1 Os1 Ru2'
_cell_volume   63.27
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.94  0.0  0.94  1.0
  Ru  Ru2  1  0.94  0.97  0.94  1.0
  Os  Os3  1  0.97  0.0  0.94  1.0

Zr Os Ru Ru
Zr Os Ru Ru 0 1 - o o 0 3 o - o 0 2 o o o 1 2 + o o 2 3 o - o 