data_[Pm4Sm4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.9576]
_cell_length_b [7.9721]
_cell_length_c [7.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [PmSmPd3]
_chemical_formula_sum '[Pm4 Sm4 Pd12]'
_cell_volume [441.4380]
_cell_formula_units_Z [4]
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
[
  Pm  Pm0  4  0.2177  0.6357  0.5000  1
  Sm  Sm1  4  0.2169  0.6354  0.0000  1
  Pd  Pd2  8  0.1158  0.3556  0.2500  1
  Pd  Pd3  4  0.0000  0.0000  0.2525  1
]