data_[Ta4Ir2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0851]
_cell_length_b [3.8921]
_cell_length_c [6.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2IrPd6]
_chemical_formula_sum '[Ta4 Ir2 Pd12]'
_cell_volume [281.8441]
_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  0.0585  0.0000  0.8144  1
  Pd  Pd1  4  0.1042  0.5000  0.1632  1
  Pd  Pd2  4  0.1652  0.0000  0.5002  1
  Pd  Pd3  4  0.2198  0.5000  0.8373  1
  Ir  Ir4  2  0.0000  0.5000  0.5000  1
]