data_[Ta2Ni6Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8414]
_cell_length_b [11.3884]
_cell_length_c [3.6940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TaNi3Pd2]
_chemical_formula_sum '[Ta2 Ni6 Pd4]'
_cell_volume [161.6040]
_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  2  0.0000  0.5000  0.0000  1
  Ni  Ni1  4  0.0000  0.3371  0.5000  1
  Ni  Ni2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  4  0.0000  0.1628  0.0000  1
]