data_Ta5Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Ru
_chemical_formula_sum   'Ta5 Ru1'
_cell_volume   104.13
_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  Ta1  1  0.3  0.69  0.29  1.0
  Ta  Ta2  1  0.3  0.41  0.0  1.0
  Ta  Ta3  1  0.3  0.0  0.29  1.0
  Ta  Ta4  1  0.3  0.59  0.0  1.0
  Ta  Ta5  1  0.3  0.31  0.29  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Ta5Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.6
_cell_length_c   5.44
_cell_angle_alpha   115.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Ru
_chemical_formula_sum   'Ta5 Ru1'
_cell_volume   104.13
_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  0.41  0.71  1.0
  Ta  Ta1  1  0.0  0.59  0.89  1.0
  Ta  Ta2  1  0.29  0.0  0.3  1.0
  Ta  Ta3  1  0.29  0.31  0.61  1.0
  Ta  Ta4  1  0.29  0.69  0.99  1.0
  Ru  Ru5  1  0.0  0.0  0.0  1.0

Ta Ta Ta Ta Ta Ru