data_[Ca8Si4Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8033]
_cell_length_b [5.7528]
_cell_length_c [7.7162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2SiPd2]
_chemical_formula_sum '[Ca8 Si4 Pd8]'
_cell_volume [426.3650]
_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
[
  Ca  Ca0  8  0.1521  0.1259  0.1528  1.0
  Si  Si1  4  0.0000  0.3811  0.7500  1.0
  Pd  Pd2  8  0.1228  0.3711  0.5012  1.0
]