data_[Cu4B2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7502]
_cell_length_b [5.6635]
_cell_length_c [5.6988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2BPd6]
_chemical_formula_sum '[Cu4 B2 Pd12]'
_cell_volume [255.2005]
_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  4  0.2498  0.0000  0.7482  1.0
  B  B1  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  8  0.0156  0.2448  0.7713  1.0
  Pd  Pd3  4  0.2418  0.0000  0.2716  1.0
]