data_[Hf2Ta2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2849]
_cell_length_b [7.7185]
_cell_length_c [5.6576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTaPd4]
_chemical_formula_sum '[Hf2 Ta2 Pd8]'
_cell_volume [206.1799]
_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
[
  Hf  Hf0  2  0.0000  0.5000  0.0000  1
  Ta  Ta1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  8  0.2439  0.1848  0.2552  1
]