data_ZnTeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   136.09
_cell_angle_beta   136.09
_cell_angle_gamma   63.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeRu2
_chemical_formula_sum   'Zn1 Te1 Ru2'
_cell_volume   63.89
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.92  0.18  1.0
  Ru  Ru0  1  0.92  0.0  0.18  1.0
  Ru  Ru1  1  0.0  0.0  0.35  1.0

data_ZnTeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.13
_cell_angle_alpha   111.95
_cell_angle_beta   111.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeRu2
_chemical_formula_sum   'Zn1 Te1 Ru2'
_cell_volume   63.89
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.26  0.18  0.26  1.0
  Ru  Ru2  1  0.18  0.26  0.26  1.0
  Ru  Ru3  1  0.35  0.35  0.35  1.0

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