data_Tc2TeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.48
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2TeRu
_chemical_formula_sum   'Tc2 Te1 Ru1'
_cell_volume   64.36
_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
  Tc  Tc1  1  0.54  0.24  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.24  0.33  1.0
  Ru  Ru0  1  0.54  0.0  0.33  1.0

data_Tc2TeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.48
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2TeRu
_chemical_formula_sum   'Tc2 Te1 Ru1'
_cell_volume   64.36
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.54  0.24  -0.0  1.0
  Te  Te2  1  0.0  0.24  0.33  1.0
  Ru  Ru3  1  0.54  0.0  0.33  1.0

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