data_[Cu2Sb2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5716]
_cell_length_b [4.1314]
_cell_length_c [8.0473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuSbPd6]
_chemical_formula_sum '[Cu2 Sb2 Pd12]'
_cell_volume [251.5145]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.0031  0.5000  0.2358  1.0
  Pd  Pd3  4  0.2418  0.0000  0.8752  1.0
  Pd  Pd4  4  0.2479  0.5000  0.6281  1.0
]