data_TaRu8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   95.65
_cell_angle_beta   95.65
_cell_angle_gamma   143.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRu8
_chemical_formula_sum   'Ta1 Ru8'
_cell_volume   129.53
_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  Ta8  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.0  0.44  0.0  1.0
  Ru  Ru1  1  0.0  0.77  0.0  1.0
  Ru  Ru2  1  0.77  0.0  0.0  1.0
  Ru  Ru3  1  0.59  0.41  0.92  1.0
  Ru  Ru4  1  0.69  0.69  0.0  1.0
  Ru  Ru5  1  0.44  0.0  0.0  1.0
  Ru  Ru6  1  0.41  0.41  0.92  1.0
  Ru  Ru7  1  0.41  0.59  0.92  1.0

data_TaRu8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.84
_cell_length_b   11.62
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   108.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaRu8
_chemical_formula_sum   'Ta2 Ru16'
_cell_volume   259.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  0.0  0.0  0.0  1.0
  Ru  Ru1  4  0.11  0.11  0.0  1.0
  Ru  Ru2  4  0.28  0.28  0.0  1.0
  Ru  Ru3  4  0.42  0.09  0.92  1.0
  Ru  Ru4  2  0.01  0.5  0.92  1.0
  Ru  Ru5  2  0.31  0.0  0.0  1.0

Ta Ru Ru Ru Ru Ru Ru Ru Ru