data_[Sm12Cu12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5330]
_cell_length_b [16.0520]
_cell_length_c [5.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm3Cu3Pd2]
_chemical_formula_sum '[Sm12 Cu12 Pd8]'
_cell_volume [664.1069]
_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
[
  Sm  Sm0  8  0.0380  0.6033  0.6303  1
  Sm  Sm1  4  0.1717  0.7500  0.1310  1
  Cu  Cu2  8  0.1808  0.5286  0.0915  1
  Cu  Cu3  4  0.1826  0.2500  0.1355  1
  Pd  Pd4  8  0.1130  0.1151  0.8668  1
]