data_[V4Cu8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  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 [4.7994]
_cell_length_b [8.3132]
_cell_length_c [8.6784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VCu2Pd3]
_chemical_formula_sum '[V4 Cu8 Pd12]'
_cell_volume [340.4719]
_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
[
  V  V0  4  0.0000  0.3349  0.0000  1
  Cu  Cu1  4  0.0000  0.1697  0.5000  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Cu  Cu3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  8  0.2498  0.3328  0.7540  1
  Pd  Pd5  4  0.2500  0.5000  0.2491  1
]