data_[Zr4Ti2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3137]
_cell_length_b [4.0773]
_cell_length_c [6.5525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2TiPd8]
_chemical_formula_sum '[Zr4 Ti2 Pd16]'
_cell_volume [362.2051]
_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
[
  Zr  Zr0  4  0.2182  0.0000  0.6625  1
  Ti  Ti1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  4  0.0382  0.0000  0.7310  1
  Pd  Pd3  4  0.0965  0.5000  0.4395  1
  Pd  Pd4  4  0.1399  0.0000  0.1823  1
  Pd  Pd5  4  0.1746  0.5000  0.9074  1
]