data_Ti2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.3
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   92.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AsRu
_chemical_formula_sum   'Ti2 As1 Ru1'
_cell_volume   60.99
_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
  Ti  Ti2  1  0.47  0.65  0.3  1.0
  Ti  Ti3  1  0.57  0.65  0.4  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.89  0.0  0.85  1.0

data_Ti2AsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.3
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   92.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AsRu
_chemical_formula_sum   'Ti2 As1 Ru1'
_cell_volume   60.99
_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
  Ti  Ti0  1  0.47  0.65  0.3  1.0
  Ti  Ti1  1  0.57  0.65  0.4  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.89  0.0  0.85  1.0

Ti Ti As Ru