data_Ta3Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ru4
_chemical_formula_sum   'Ta3 Ru4'
_cell_volume   115.57
_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  Ta4  1  0.64  0.0  0.39  1.0
  Ta  Ta5  1  0.68  0.29  0.39  1.0
  Ta  Ta6  1  0.32  0.29  0.39  1.0
  Ru  Ru0  1  0.0  0.0  0.63  1.0
  Ru  Ru1  1  0.0  0.0  0.15  1.0
  Ru  Ru2  1  0.0  0.05  0.0  1.0
  Ru  Ru3  1  0.64  0.52  0.0  1.0

data_Ta3Ru4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ru4
_chemical_formula_sum   'Ta3 Ru4'
_cell_volume   115.57
_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  0.39  0.32  0.29  1.0
  Ta  Ta1  1  0.39  0.64  0.0  1.0
  Ta  Ta2  1  0.39  0.68  0.29  1.0
  Ru  Ru3  1  0.0  0.0  0.05  1.0
  Ru  Ru4  1  0.0  0.64  0.52  1.0
  Ru  Ru5  1  0.15  0.0  0.0  1.0
  Ru  Ru6  1  0.63  0.0  0.0  1.0

Ta Ta Ta Ru Ru Ru Ru