data_Zn2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.75
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TeRu
_chemical_formula_sum   'Zn2 Te1 Ru1'
_cell_volume   69.26
_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  Zn2  1  0.0  0.0  0.22  1.0
  Zn  Zn3  1  0.64  0.87  0.36  1.0
  Te  Te1  1  0.64  0.87  0.07  1.0
  Ru  Ru0  1  0.0  0.0  0.83  1.0

data_Zn2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.75
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TeRu
_chemical_formula_sum   'Zn2 Te1 Ru1'
_cell_volume   69.26
_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  0.22  1.0
  Zn  Zn1  1  0.64  0.87  0.36  1.0
  Te  Te2  1  0.64  0.87  0.07  1.0
  Ru  Ru3  1  0.0  0.0  0.83  1.0

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