data_[Ta6Pd14]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4540]
_cell_length_b [3.9113]
_cell_length_c [5.7115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta3Pd7]
_chemical_formula_sum '[Ta6 Pd14]'
_cell_volume [317.2210]
_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
[
  Ta  Ta0  4  0.2011  0.0000  0.6141  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.0955  0.5000  0.7988  1
  Pd  Pd3  4  0.0998  0.5000  0.3002  1
  Pd  Pd4  4  0.1983  0.0000  0.1031  1
  Pd  Pd5  2  0.0000  0.0000  0.5000  1
]