data_[Ta2Pd3Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9264]
_cell_length_b [4.0339]
_cell_length_c [7.6628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ta2(PdRu)3]
_chemical_formula_sum '[Ta2 Pd3 Ru3]'
_cell_volume [121.3695]
_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  2  0.0000  0.0000  0.2440  1.0
  Pd  Pd1  2  0.5000  0.5000  0.2495  1.0
  Ru  Ru2  1  0.0000  0.5000  0.0000  1.0
  Pd  Pd3  1  0.0000  0.5000  0.5000  1.0
  Ru  Ru4  1  0.5000  0.0000  0.0000  1.0
  Ru  Ru5  1  0.5000  0.0000  0.5000  1.0
]