data_[Ca6Sb8Pd14]
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 [16.5969]
_cell_length_b [4.4308]
_cell_length_c [9.6626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Sb4Pd7]
_chemical_formula_sum '[Ca6 Sb8 Pd14]'
_cell_volume [585.8777]
_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  0.1634  0.5000  0.1717  1
  Ca  Ca1  2  0.0000  0.0000  0.5000  1
  Sb  Sb2  4  0.1113  0.0000  0.8855  1
  Sb  Sb3  4  0.1798  0.5000  0.5547  1
  Pd  Pd4  4  0.0024  0.5000  0.2493  1
  Pd  Pd5  4  0.1327  0.0000  0.3681  1
  Pd  Pd6  4  0.1998  0.5000  0.8571  1
  Pd  Pd7  2  0.0000  0.0000  0.0000  1
]