data_[Sm12Ga8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4356]
_cell_length_b [10.8080]
_cell_length_c [14.5960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm3Ga2Pd3]
_chemical_formula_sum '[Sm12 Ga8 Pd12]'
_cell_volume [699.7399]
_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  0.0000  0.0820  0.6049  1.0
  Sm  Sm1  4  0.0000  0.3666  0.7500  1.0
  Ga  Ga2  8  0.0000  0.2134  0.0960  1.0
  Pd  Pd3  8  0.0000  0.3830  0.5426  1.0
  Pd  Pd4  4  0.0000  0.3407  0.2500  1.0
]