data_[Sm3In6Ga3Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6115]
_cell_length_b [4.6115]
_cell_length_c [24.8512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [SmIn2GaPd4]
_chemical_formula_sum '[Sm3 In6 Ga3 Pd12]'
_cell_volume [457.6781]
_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  0.0000  1.0
  In  In1  6  0.0000  0.0000  0.2482  1.0
  Ga  Ga2  3  -0.0000  -0.0000  0.5000  1.0
  Pd  Pd3  6  0.0000  0.0000  0.1327  1.0
  Pd  Pd4  6  0.0000  0.0000  0.3983  1.0
]