data_[Ti8Cu6Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.7544]
_cell_length_b [4.4282]
_cell_length_c [26.6118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ti4Cu3Pd4]
_chemical_formula_sum '[Ti8 Cu6 Pd8]'
_cell_volume [324.5887]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.4498  1.0
  Ti  Ti1  2  0.0000  0.0000  0.8228  1.0
  Ti  Ti2  2  0.5000  0.0000  0.1774  1.0
  Ti  Ti3  2  0.5000  0.0000  0.5565  1.0
  Cu  Cu4  2  0.0000  0.0000  0.6443  1.0
  Cu  Cu5  2  0.5000  0.0000  0.0025  1.0
  Cu  Cu6  2  0.5000  0.0000  0.3576  1.0
  Pd  Pd7  2  0.0000  0.0000  0.0892  1.0
  Pd  Pd8  2  0.0000  0.0000  0.2705  1.0
  Pd  Pd9  2  0.5000  0.0000  0.7303  1.0
  Pd  Pd10  2  0.5000  0.0000  0.9090  1.0
]