data_[Pr4Si4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7441]
_cell_length_b [4.0012]
_cell_length_c [7.1488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Si2Pd3]
_chemical_formula_sum '[Pr4 Si4 Pd6]'
_cell_volume [278.0233]
_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
[
  Pr  Pr0  4  0.1335  0.0000  0.7709  1.0
  Si  Si1  4  0.1496  0.0000  0.2249  1.0
  Pd  Pd2  4  0.1367  0.5000  0.4307  1.0
  Pd  Pd3  2  0.0000  0.5000  0.0000  1.0
]