data_TaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   19.41
_cell_angle_beta   19.41
_cell_angle_gamma   19.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRu
_chemical_formula_sum   'Ta2 Ru2'
_cell_volume   66.57
_cell_formula_units_Z   2
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  Ta2  1  0.0  0.0  0.15  1.0
  Ta  Ta3  1  0.0  0.0  0.84  1.0
  Ru  Ru0  1  0.0  0.0  0.19  1.0
  Ru  Ru1  1  0.0  0.0  0.8  1.0

data_TaRu
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.16
_cell_length_b   2.98
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   101.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   TaRu
_chemical_formula_sum   'Ta4 Ru4'
_cell_volume   133.13
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.16  1.0
  Ru  Ru1  4  0.0  0.0  0.2  1.0

Ta Ta Ru Ru
Ta Ta Ru Ru 0 2 o o o 1 3 o o o 