data_[Pr1Sm3Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1762]
_cell_length_b [4.1762]
_cell_length_c [16.8168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr(SmPd4)3]
_chemical_formula_sum '[Pr1 Sm3 Pd12]'
_cell_volume [293.2928]
_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  0.0000  1
  Sm  Sm1  2  0.0000  0.0000  0.2518  1
  Sm  Sm2  1  0.0000  0.0000  0.5000  1
  Pd  Pd3  4  0.0000  0.5000  0.1275  1
  Pd  Pd4  4  0.0000  0.5000  0.3757  1
  Pd  Pd5  2  0.5000  0.5000  0.2512  1
  Pd  Pd6  1  0.5000  0.5000  0.0000  1
  Pd  Pd7  1  0.5000  0.5000  0.5000  1
]