data_TaTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.79
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe2Ru
_chemical_formula_sum   'Ta1 Te2 Ru1'
_cell_volume   97.92
_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
  Ta  Ta1  1  0.66  0.89  0.44  1.0
  Te  Te2  1  0.0  0.0  0.04  1.0
  Te  Te3  1  0.66  0.89  0.72  1.0
  Ru  Ru0  1  0.0  0.0  0.32  1.0

data_TaTe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.79
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe2Ru
_chemical_formula_sum   'Ta1 Te2 Ru1'
_cell_volume   97.92
_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
  Ta  Ta0  1  0.66  0.89  0.44  1.0
  Te  Te1  1  0.0  0.0  0.04  1.0
  Te  Te2  1  0.66  0.89  0.72  1.0
  Ru  Ru3  1  0.0  0.0  0.32  1.0

Ta Te Te Ru
Ta Te Te Ru 0 3 + + o 0 2 o o o 1 3 o o o 