data_Te2OsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.36
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2OsRu
_chemical_formula_sum   'Te2 Os1 Ru1'
_cell_volume   92.07
_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
  Te  Te2  1  0.34  0.18  0.65  1.0
  Te  Te3  1  0.93  0.0  0.47  1.0
  Os  Os0  1  0.91  0.18  0.87  1.0
  Ru  Ru1  1  0.36  0.0  0.22  1.0

data_Te2OsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.36
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2OsRu
_chemical_formula_sum   'Te2 Os1 Ru1'
_cell_volume   92.07
_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
  Te  Te0  1  0.34  0.18  0.65  1.0
  Te  Te1  1  0.93  0.0  0.47  1.0
  Ru  Ru2  1  0.36  0.0  0.22  1.0
  Os  Os3  1  0.91  0.18  0.87  1.0

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