data_[Ca4Si2Sb2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  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 [11.5066]
_cell_length_b [5.5846]
_cell_length_c [8.0092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2SiSbPd6]
_chemical_formula_sum '[Ca4 Si2 Sb2 Pd12]'
_cell_volume [388.6210]
_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  0.0007  0.5000  0.2468  1.0
  Si  Si1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.2343  0.2452  0.7841  1.0
  Pd  Pd4  4  0.1685  0.0000  0.4262  1.0
]