data_TeRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.45
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu3
_chemical_formula_sum   'Te1 Ru3'
_cell_volume   62.82
_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
  Te  Te3  1  0.47  0.22  0.59  1.0
  Ru  Ru0  1  0.47  0.0  0.72  1.0
  Ru  Ru1  1  0.0  0.0  0.45  1.0
  Ru  Ru2  1  0.0  0.22  0.03  1.0

data_TeRu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.45
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeRu3
_chemical_formula_sum   'Te1 Ru3'
_cell_volume   62.82
_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
  Te  Te0  1  0.47  0.22  0.59  1.0
  Ru  Ru1  1  0.0  0.0  0.45  1.0
  Ru  Ru2  1  0.0  0.22  0.03  1.0
  Ru  Ru3  1  0.47  0.0  0.72  1.0

Te Ru Ru Ru