data_[Pr6Mg8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1399]
_cell_length_b [8.0753]
_cell_length_c [14.9432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3(MgPd)4]
_chemical_formula_sum '[Pr6 Mg8 Pd8]'
_cell_volume [499.5650]
_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  0.0000  0.0000  0.1183  1.0
  Pr  Pr1  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  8  0.0000  0.1922  0.3259  1.0
  Pd  Pd3  4  0.0000  0.3067  0.5000  1.0
  Pd  Pd4  4  0.0000  0.5000  0.2264  1.0
]