data_[Ca4B2Pd12Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.8276]
_cell_length_b [8.7858]
_cell_length_c [7.6691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca2BPd6Pb]
_chemical_formula_sum '[Ca4 B2 Pd12 Pb2]'
_cell_volume [392.6584]
_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
[
  Ca  Ca0  4  0.0000  0.2212  0.2731  1.0
  B  B1  2  0.0000  0.0000  0.8315  1.0
  Pd  Pd2  4  0.0000  0.2381  0.8630  1.0
  Pd  Pd3  4  0.2374  0.5000  0.9840  1.0
  Pd  Pd4  4  0.2444  0.0000  0.6323  1.0
  Pb  Pb5  2  0.0000  0.5000  0.6610  1.0
]