data_[Ca4Sb8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [16.4559]
_cell_length_b [4.5816]
_cell_length_c [6.7589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaSb2Pd3]
_chemical_formula_sum '[Ca4 Sb8 Pd12]'
_cell_volume [495.5346]
_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  4  0.1205  0.0000  0.1614  1.0
  Sb  Sb1  4  0.0150  0.5000  0.7770  1.0
  Sb  Sb2  4  0.2307  0.0000  0.6959  1.0
  Pd  Pd3  4  0.0692  0.0000  0.6749  1.0
  Pd  Pd4  4  0.1381  0.5000  0.4926  1.0
  Pd  Pd5  4  0.1927  0.5000  0.9120  1.0
]