data_[Sm3In1Si2Pd9]
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
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7840]
_cell_length_b [5.7840]
_cell_length_c [11.2287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sm3InSi2Pd9]
_chemical_formula_sum '[Sm3 In1 Si2 Pd9]'
_cell_volume [325.3272]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.7545  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  In  In2  1  0.0000  0.0000  0.5000  1
  Si  Si3  2  0.3333  0.6667  0.1586  1
  Pd  Pd4  6  0.1599  0.3198  0.3007  1
  Pd  Pd5  3  0.0000  0.5000  0.0000  1
]