data_Zn2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   3.31
_cell_angle_alpha   106.57
_cell_angle_beta   106.57
_cell_angle_gamma   120.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TeRu
_chemical_formula_sum   'Zn2 Te1 Ru1'
_cell_volume   70.84
_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  0.36  0.6  0.0  1.0
  Zn  Zn3  1  0.36  0.4  0.0  1.0
  Te  Te1  1  0.73  0.0  0.0  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Zn2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.46
_cell_length_c   5.52
_cell_angle_alpha   113.12
_cell_angle_beta   106.57
_cell_angle_gamma   92.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TeRu
_chemical_formula_sum   'Zn2 Te1 Ru1'
_cell_volume   70.84
_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  0.4  0.4  0.77  1.0
  Zn  Zn1  1  0.6  0.6  0.96  1.0
  Te  Te2  1  0.0  0.0  0.73  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Zn Zn Te Ru