data_TeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   6.15
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu2
_chemical_formula_sum   'Te2 Ru4'
_cell_volume   120.43
_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
  Te  Te4  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.27  0.07  0.16  1.0
  Ru  Ru0  1  0.97  0.74  0.0  1.0
  Ru  Ru1  1  0.57  0.41  0.0  1.0
  Ru  Ru2  1  0.24  0.48  0.16  1.0
  Ru  Ru3  1  0.3  0.66  0.16  1.0

data_TeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.54
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu2
_chemical_formula_sum   'Te2 Ru4'
_cell_volume   120.43
_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
  Te  Te0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.16  0.27  0.07  1.0
  Ru  Ru2  1  -0.0  0.57  0.41  1.0
  Ru  Ru3  1  -0.0  0.97  0.74  1.0
  Ru  Ru4  1  0.16  0.24  0.48  1.0
  Ru  Ru5  1  0.16  0.3  0.66  1.0

Te Te Ru Ru Ru Ru
Te Te Ru Ru Ru Ru 0 2 - - o 0 1 o o o 2 5 + o o 3 4 o o o 4 5 o o o 