data_InTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.39
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2Ru
_chemical_formula_sum   'In1 Te2 Ru1'
_cell_volume   95.17
_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
  In  In0  1  0.0  0.0  0.31  1.0
  Te  Te2  1  0.63  0.69  0.61  1.0
  Te  Te3  1  0.63  0.69  0.01  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_InTe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.39
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2Ru
_chemical_formula_sum   'In1 Te2 Ru1'
_cell_volume   95.17
_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
  In  In0  1  0.0  0.0  0.31  1.0
  Te  Te1  1  0.63  0.69  0.01  1.0
  Te  Te2  1  0.63  0.69  0.61  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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