data_TaAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   145.6
_cell_angle_beta   129.72
_cell_angle_gamma   62.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsRu2
_chemical_formula_sum   'Ta1 As1 Ru2'
_cell_volume   60.61
_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  Ta3  1  0.54  0.0  0.34  1.0
  As  As0  1  0.0  0.0  0.15  1.0
  Ru  Ru1  1  0.54  0.0  0.21  1.0
  Ru  Ru2  1  0.0  0.0  0.66  1.0

data_TaAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.42
_cell_length_c   5.2
_cell_angle_alpha   115.14
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsRu2
_chemical_formula_sum   'Ta1 As1 Ru2'
_cell_volume   60.61
_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  0.0  0.34  0.8  1.0
  As  As1  1  0.0  0.15  0.15  1.0
  Ru  Ru2  1  0.0  0.21  0.68  1.0
  Ru  Ru3  1  0.0  0.66  0.66  1.0

Ta As Ru Ru