data_[Ti8Cu4Pd6]
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 [C2/m]
_cell_length_a [8.8015]
_cell_length_b [3.8603]
_cell_length_c [8.3731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4Cu2Pd3]
_chemical_formula_sum '[Ti8 Cu4 Pd6]'
_cell_volume [270.2597]
_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  4  0.0130  0.0000  0.3335  1.0
  Ti  Ti1  4  0.1686  0.5000  0.8915  1.0
  Cu  Cu2  4  0.1708  0.5000  0.2197  1.0
  Pd  Pd3  4  0.1645  0.5000  0.5594  1.0
  Pd  Pd4  2  0.0000  0.0000  0.0000  1.0
]