data_[Cu4Sn12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8363]
_cell_length_b [6.8062]
_cell_length_c [7.4561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuSn3Pd]
_chemical_formula_sum '[Cu4 Sn12 Pd4]'
_cell_volume [436.0189]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  4  0.4550  0.1750  0.4797  1
  Sn  Sn1  4  0.1400  0.1730  0.0095  1
  Sn  Sn2  4  0.2068  0.6108  0.8545  1
  Sn  Sn3  4  0.4176  0.5119  0.2901  1
  Pd  Pd4  4  0.0958  0.5453  0.1776  1
]