data_[Ca4Al4Sn2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.2475]
_cell_length_b [10.2475]
_cell_length_c [3.5743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2Al2SnPd5]
_chemical_formula_sum '[Ca4 Al4 Sn2 Pd10]'
_cell_volume [375.3434]
_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  0.1776  0.6776  0.0000  1.0
  Al  Al1  4  0.1205  0.3795  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0612  0.2118  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.5000  1.0
]