data_[Pr4Si1Pd3]
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 [Pmm2]
_cell_length_a [4.1318]
_cell_length_b [4.4131]
_cell_length_c [11.1372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr4SiPd3]
_chemical_formula_sum '[Pr4 Si1 Pd3]'
_cell_volume [203.0739]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.1379  1.0
  Pr  Pr1  1  0.0000  0.5000  0.8614  1.0
  Pr  Pr2  1  0.5000  0.0000  0.6372  1.0
  Pr  Pr3  1  0.5000  0.5000  0.3592  1.0
  Si  Si4  1  0.5000  0.5000  0.0752  1.0
  Pd  Pd5  1  0.0000  0.0000  0.4190  1.0
  Pd  Pd6  1  0.0000  0.5000  0.5842  1.0
  Pd  Pd7  1  0.5000  0.0000  0.9259  1.0
]