data_[Ca2Sn4Pd2]
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 [P2_1/m]
_cell_length_a [4.2910]
_cell_length_b [4.4386]
_cell_length_c [10.4254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaSn2Pd]
_chemical_formula_sum '[Ca2 Sn4 Pd2]'
_cell_volume [197.8986]
_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  2  0.3072  0.7500  0.2630  1.0
  Sn  Sn1  2  0.1693  0.7500  0.5710  1.0
  Sn  Sn2  2  0.2501  0.2500  0.9976  1.0
  Pd  Pd3  2  0.2124  0.7500  0.8298  1.0
]