data_[Y3Sn1Pd4]
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 [Pm]
_cell_length_a [5.5488]
_cell_length_b [4.4972]
_cell_length_c [6.8410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Y3SnPd4]
_chemical_formula_sum '[Y3 Sn1 Pd4]'
_cell_volume [170.7033]
_cell_formula_units_Z [1]
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  1  0.1434  0.5000  0.1790  1
  Y  Y1  1  0.3662  0.5000  0.6754  1
  Y  Y2  1  0.8575  0.0000  0.8152  1
  Sn  Sn3  1  0.6353  0.0000  0.3275  1
  Pd  Pd4  1  0.1521  0.0000  0.4546  1
  Pd  Pd5  1  0.3523  0.0000  0.9629  1
  Pd  Pd6  1  0.6510  0.5000  0.0632  1
  Pd  Pd7  1  0.8420  0.5000  0.5223  1
]