data_TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.81
_cell_angle_alpha   100.16
_cell_angle_beta   100.16
_cell_angle_gamma   38.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu
_chemical_formula_sum   'Te2 Ru2'
_cell_volume   75.91
_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  Te2  1  0.89  0.0  0.33  1.0
  Te  Te3  1  0.82  0.0  0.4  1.0
  Ru  Ru0  1  0.15  0.0  0.93  1.0
  Ru  Ru1  1  0.56  0.0  0.8  1.0

data_TeRu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.34
_cell_length_b   4.81
_cell_length_c   5.09
_cell_angle_alpha   100.16
_cell_angle_beta   109.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeRu
_chemical_formula_sum   'Te2 Ru2'
_cell_volume   75.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.04  0.46  1.0
  Ru  Ru1  2  0.0  0.43  0.21  1.0

Te Te Ru Ru