data_[Y2Sn2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.4436]
_cell_length_b [6.2188]
_cell_length_c [5.8704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [YSnPd2]
_chemical_formula_sum '[Y2 Sn2 Pd4]'
_cell_volume [162.2251]
_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
[
  Y  Y0  2  0.0000  0.4207  0.3667  1
  Sn  Sn1  2  0.0000  0.8975  0.1291  1
  Pd  Pd2  2  0.0000  0.2608  0.8542  1
  Pd  Pd3  2  0.0000  0.8210  0.6500  1
]