data_[Ca16Sn4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3475]
_cell_length_b [14.2381]
_cell_length_c [6.0906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca4SnPd]
_chemical_formula_sum '[Ca16 Sn4 Pd4]'
_cell_volume [741.7135]
_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  0.1186  0.1722  0.5707  1.0
  Ca  Ca1  8  0.2065  0.4337  0.8229  1.0
  Sn  Sn2  4  0.0000  0.3655  0.2500  1.0
  Pd  Pd3  4  0.0000  0.0019  0.7500  1.0
]