data_[Sm3Cu12Pd3]
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 [R3m]
_cell_length_a [4.9805]
_cell_length_b [4.9805]
_cell_length_c [13.0572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmCu4Pd]
_chemical_formula_sum '[Sm3 Cu12 Pd3]'
_cell_volume [280.4931]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0012  1.0
  Cu  Cu1  9  0.1672  0.3344  0.2027  1.0
  Cu  Cu2  3  0.0000  0.0000  0.7690  1.0
  Pd  Pd3  3  0.0000  0.0000  0.3717  1.0
]